 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer08_STD_B3LYPDBJ_def2SVPD.in
 Output=10_L-serine_conformer08_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-23558.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23588.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer08_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:25:29 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.250904000000     -0.690050000000      0.276818000000
  C                                                 0.189479000000      0.206848000000     -0.338320000000
  C                                                -1.218867000000     -0.343463000000     -0.063422000000
  O                                                -2.139786000000      0.610664000000      0.106878000000
  O                                                 2.516052000000     -0.170687000000     -0.121294000000
  N                                                 0.262737000000      1.614990000000      0.062074000000
  O                                                -1.475252000000     -1.516387000000     -0.031909000000
  H                                                 0.312462000000      0.172012000000     -1.425027000000
  H                                                 1.148785000000     -0.681214000000      1.370514000000
  H                                                 1.101193000000     -1.714061000000     -0.069890000000
  H                                                -1.645638000000      1.460867000000      0.062581000000
  H                                                 0.529234000000      1.694360000000      1.038405000000
  H                                                 0.970182000000      2.101499000000     -0.472846000000
  H                                                 3.207414000000     -0.767126000000      0.181892000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:25:29 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519685   0.000000
     3  C    2.517073   1.536831   0.000000
     4  O    3.635590   2.405565   1.336956   0.000000
     5  O    1.424370   2.366976   3.739361   4.726457   0.000000
     6  N    2.517101   1.465792   2.458951   2.604380   2.880919
     7  O    2.865322   2.415524   1.201032   2.232759   4.213004
     8  H    2.126053   1.094199   2.112972   2.924495   2.583209
     9  H    1.098489   2.151519   2.788552   3.752389   2.086995
    10  H    1.091429   2.143168   2.694672   3.992435   2.094391
    11  H    3.614180   2.258526   1.858391   0.984373   4.473862
    12  H    2.605040   2.055115   2.902172   3.027508   2.961545
    13  H    2.904057   2.053606   3.307174   3.497223   2.770583
    14  H    1.960327   3.213593   4.453272   5.522362   0.962103
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.582591   0.000000
     8  H    2.072710   2.826197   0.000000
     9  H    2.787409   3.090287   3.040145   0.000000
    10  H    3.435550   2.584296   2.452705   1.773077   0.000000
    11  H    1.914589   2.983622   2.776379   3.756062   4.200333
    12  H    1.015156   3.933501   2.903968   2.477396   3.629434
    13  H    1.011587   4.389040   2.249925   3.342659   3.839015
    14  H    3.789453   4.747048   3.441644   2.378688   2.322982
                   11         12         13         14
    11  H    0.000000
    12  H    2.395166   0.000000
    13  H    2.745834   1.626062   0.000000
    14  H    5.341376   3.737001   3.696336   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6422497           1.8564853           1.3850769
 Leave Link  202 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       322.5377908605 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0184538236 Hartrees.
 Nuclear repulsion after empirical dispersion term =      322.5193370369 Hartrees.
 Leave Link  301 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  6.11D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:25:31 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:25:31 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer08_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:25:31 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.716043281212    
 DIIS: error= 3.20D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.716043281212     IErMin= 1 ErrMin= 3.20D-03
 ErrMax= 3.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.60D-03 BMatP= 9.60D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.20D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.262 Goal=   None    Shift=    0.000
 GapD=    0.262 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.53D-03 MaxDP=1.07D-01              OVMax= 2.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.53D-03    CP:  1.00D+00
 E= -398.725019650414     Delta-E=       -0.008976369202 Rises=F Damp=F
 DIIS: error= 1.00D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.725019650414     IErMin= 2 ErrMin= 1.00D-03
 ErrMax= 1.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-04 BMatP= 9.60D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.00D-02
 Coeff-Com:  0.753D-01 0.925D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.745D-01 0.925D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=3.33D-04 MaxDP=7.87D-03 DE=-8.98D-03 OVMax= 7.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.87D-04    CP:  1.00D+00  1.04D+00
 E= -398.724771869445     Delta-E=        0.000247780968 Rises=F Damp=F
 DIIS: error= 1.47D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -398.725019650414     IErMin= 2 ErrMin= 1.00D-03
 ErrMax= 1.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-03 BMatP= 6.29D-04
 IDIUse=3 WtCom= 2.07D-01 WtEn= 7.93D-01
 Coeff-Com: -0.180D-01 0.569D+00 0.449D+00
 Coeff-En:   0.000D+00 0.589D+00 0.411D+00
 Coeff:     -0.372D-02 0.585D+00 0.419D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=1.45D-04 MaxDP=4.57D-03 DE= 2.48D-04 OVMax= 4.70D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.93D-05    CP:  1.00D+00  1.04D+00  5.97D-01
 E= -398.725509845878     Delta-E=       -0.000737976433 Rises=F Damp=F
 DIIS: error= 1.65D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.725509845878     IErMin= 4 ErrMin= 1.65D-04
 ErrMax= 1.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-05 BMatP= 6.29D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.65D-03
 Coeff-Com: -0.121D-01 0.284D+00 0.219D+00 0.509D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-01 0.283D+00 0.219D+00 0.510D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=3.23D-05 MaxDP=1.16D-03 DE=-7.38D-04 OVMax= 8.81D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.02D-05    CP:  1.00D+00  1.05D+00  5.96D-01  9.38D-01
 E= -398.725522660385     Delta-E=       -0.000012814507 Rises=F Damp=F
 DIIS: error= 4.51D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.725522660385     IErMin= 5 ErrMin= 4.51D-05
 ErrMax= 4.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-07 BMatP= 1.44D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-02 0.796D-01 0.615D-01 0.225D+00 0.638D+00
 Coeff:     -0.404D-02 0.796D-01 0.615D-01 0.225D+00 0.638D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=7.68D-06 MaxDP=3.39D-04 DE=-1.28D-05 OVMax= 5.74D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.08D-06    CP:  1.00D+00  1.05D+00  5.99D-01  9.56D-01  9.29D-01
 E= -398.725522926625     Delta-E=       -0.000000266241 Rises=F Damp=F
 DIIS: error= 3.78D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.725522926625     IErMin= 6 ErrMin= 3.78D-05
 ErrMax= 3.78D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-07 BMatP= 8.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-03-0.766D-03-0.500D-03 0.578D-01 0.476D+00 0.467D+00
 Coeff:     -0.408D-03-0.766D-03-0.500D-03 0.578D-01 0.476D+00 0.467D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=3.97D-06 MaxDP=1.61D-04 DE=-2.66D-07 OVMax= 2.84D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.02D-06    CP:  1.00D+00  1.05D+00  6.01D-01  9.68D-01  9.47D-01
                    CP:  5.77D-01
 E= -398.725523379178     Delta-E=       -0.000000452553 Rises=F Damp=F
 DIIS: error= 3.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.725523379178     IErMin= 7 ErrMin= 3.89D-06
 ErrMax= 3.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-09 BMatP= 5.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.730D-04-0.501D-02-0.377D-02 0.105D-01 0.169D+00 0.197D+00
 Coeff-Com:  0.632D+00
 Coeff:      0.730D-04-0.501D-02-0.377D-02 0.105D-01 0.169D+00 0.197D+00
 Coeff:      0.632D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=9.47D-07 MaxDP=4.82D-05 DE=-4.53D-07 OVMax= 2.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.87D-07    CP:  1.00D+00  1.05D+00  6.02D-01  9.69D-01  9.61D-01
                    CP:  5.82D-01  8.95D-01
 E= -398.725523384996     Delta-E=       -0.000000005818 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.725523384996     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 8.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.591D-04-0.224D-02-0.168D-02 0.482D-03 0.469D-01 0.623D-01
 Coeff-Com:  0.350D+00 0.544D+00
 Coeff:      0.591D-04-0.224D-02-0.168D-02 0.482D-03 0.469D-01 0.623D-01
 Coeff:      0.350D+00 0.544D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=3.05D-07 MaxDP=1.90D-05 DE=-5.82D-09 OVMax= 8.24D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  1.00D+00  1.05D+00  6.01D-01  9.69D-01  9.60D-01
                    CP:  5.84D-01  8.89D-01  7.42D-01
 E= -398.725523386274     Delta-E=       -0.000000001278 Rises=F Damp=F
 DIIS: error= 3.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.725523386274     IErMin= 9 ErrMin= 3.39D-07
 ErrMax= 3.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-11 BMatP= 1.53D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-04-0.629D-03-0.464D-03-0.752D-03 0.742D-02 0.117D-01
 Coeff-Com:  0.107D+00 0.241D+00 0.635D+00
 Coeff:      0.219D-04-0.629D-03-0.464D-03-0.752D-03 0.742D-02 0.117D-01
 Coeff:      0.107D+00 0.241D+00 0.635D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=8.38D-08 MaxDP=6.03D-06 DE=-1.28D-09 OVMax= 1.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.56D-08    CP:  1.00D+00  1.05D+00  6.02D-01  9.69D-01  9.60D-01
                    CP:  5.85D-01  9.08D-01  7.57D-01  8.16D-01
 E= -398.725523386326     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.725523386326     IErMin=10 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-11 BMatP= 7.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.571D-04-0.369D-04-0.503D-03-0.193D-02-0.167D-02
 Coeff-Com:  0.147D-01 0.635D-01 0.341D+00 0.585D+00
 Coeff:      0.421D-05-0.571D-04-0.369D-04-0.503D-03-0.193D-02-0.167D-02
 Coeff:      0.147D-01 0.635D-01 0.341D+00 0.585D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=2.30D-08 MaxDP=1.06D-06 DE=-5.22D-11 OVMax= 6.99D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.97D-08    CP:  1.00D+00  1.05D+00  6.01D-01  9.69D-01  9.60D-01
                    CP:  5.85D-01  9.09D-01  7.66D-01  8.08D-01  8.52D-01
 E= -398.725523386333     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 2.57D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.725523386333     IErMin=11 ErrMin= 2.57D-08
 ErrMax= 2.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-13 BMatP= 1.28D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.615D-06 0.718D-05 0.768D-05-0.169D-03-0.113D-02-0.129D-02
 Coeff-Com:  0.733D-03 0.141D-01 0.108D+00 0.247D+00 0.632D+00
 Coeff:      0.615D-06 0.718D-05 0.768D-05-0.169D-03-0.113D-02-0.129D-02
 Coeff:      0.733D-03 0.141D-01 0.108D+00 0.247D+00 0.632D+00
 Gap=     0.260 Goal=   None    Shift=    0.000
 RMSDP=6.32D-09 MaxDP=2.44D-07 DE=-6.48D-12 OVMax= 1.49D-07

 SCF Done:  E(RB3LYP) =  -398.725523386     A.U. after   11 cycles
            NFock= 11  Conv=0.63D-08     -V/T= 2.0093
 KE= 3.950379806365D+02 PE=-1.578334288532D+03 EE= 4.620514474726D+02
 Leave Link  502 at Thu Aug 12 20:25:53 2021, MaxMem=  5368709120 cpu:             172.5 elap:              21.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.28598459D+02

 Leave Link  801 at Thu Aug 12 20:25:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 3.50D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 4.03D-01 8.80D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 4.36D-02 3.74D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 2.09D-03 6.93D-03.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 6.46D-05 1.46D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 1.41D-06 1.90D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 3.04D-08 2.36D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 2.33D-10 2.03D-06.
      7 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 8.78D-13 1.24D-07.
      1 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 3.55D-15 9.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.671344D+02
      2 -0.288789D+00  0.650574D+02
      3 -0.670972D+00 -0.202175D+00  0.481870D+02
 Isotropic polarizability for W=    0.088559       60.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.298633D+02 -0.377680D+01 -0.133826D+01
      2  -0.192805D+02  0.153588D+01 -0.222569D+01
      3  -0.105828D+02  0.224093D+01  0.356395D+01
      4   0.436446D+00 -0.807545D+01 -0.375614D+01
      5   0.354286D+01 -0.572680D+01  0.250150D+02
      6  -0.215337D+01  0.227370D+01  0.594291D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.670325D+00 -0.170419D+01 -0.114615D+01
      2   0.254762D+01 -0.947370D+00  0.109139D+02
      3   0.612159D+01  0.594777D+01  0.209999D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.197065D+01  0.449939D+01 -0.370198D+01
      2  -0.488112D+01 -0.160277D+01  0.355978D+02
      3   0.421325D+01 -0.112050D+02  0.357343D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.836483D-01 -0.258572D+00 -0.117995D+01
      2  -0.258572D+00  0.314142D+00 -0.116633D+01
      3  -0.117995D+01 -0.116633D+01  0.845093D-01
 OR G Eigenvalues:    -1.6521     0.4570     1.6774  Iso=    -0.1608
 Eigenvectors:
   (1)   0.540860   0.480600   0.690286
   (2)   0.712627  -0.697782  -0.072546
   (3)  -0.446803  -0.531154   0.719891
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1608 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -77.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 8.13D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 4.04D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 7.16D-02 5.21D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 7.49D-04 4.99D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 4.64D-06 2.75D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 2.56D-08 1.95D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 5.55D-11 9.92D-07.
     24 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 7.66D-14 2.96D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   204 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 3.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 3.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.95D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.671344D+02 -0.288789D+00 -0.670972D+00
      2  -0.288789D+00  0.650574D+02 -0.202175D+00
      3  -0.670972D+00 -0.202175D+00  0.481870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.670325D+00 -0.170419D+01 -0.114615D+01
      2   0.254762D+01 -0.947370D+00  0.109139D+02
      3   0.612159D+01  0.594777D+01  0.209999D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.298633D+02 -0.377680D+01 -0.133826D+01
      2  -0.192805D+02  0.153588D+01 -0.222569D+01
      3  -0.105828D+02  0.224093D+01  0.356395D+01
      4   0.436446D+00 -0.807545D+01 -0.375614D+01
      5   0.354286D+01 -0.572680D+01  0.250150D+02
      6  -0.215337D+01  0.227370D+01  0.594291D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.874105D+00 -0.201947D+01  0.892858D+00 -0.294391D+01  0.120274D+01
      2  -0.201947D+01  0.237135D+01 -0.343029D+00  0.120274D+01  0.437674D+01
      3   0.892858D+00 -0.343029D+00  0.140844D+01  0.374724D-01  0.167309D+01
                 6             7             8             9            10 
      1   0.374724D-01  0.171479D+01 -0.199601D+00  0.126455D+01  0.133327D+01
      2   0.167309D+01 -0.199601D+00  0.195518D+01  0.914628D+00  0.288934D+01
      3   0.611213D+00  0.126455D+01  0.914628D+00 -0.802203D+01 -0.543789D+00
                11            12            13            14            15 
      1   0.288934D+01 -0.543789D+00  0.223524D+01 -0.154727D+00 -0.728487D-02
      2  -0.193920D+01  0.546647D+00 -0.154727D+00 -0.341377D+01 -0.771453D+00
      3   0.546647D+00 -0.510167D+00 -0.728487D-02 -0.771453D+00  0.342862D+00
                16            17            18            19            20 
      1  -0.386650D+00  0.108687D+01 -0.707865D+00 -0.201948D+01 -0.215214D+01
      2   0.108687D+01 -0.109075D+01 -0.133261D+00 -0.215214D+01  0.215689D+01
      3  -0.707865D+00 -0.133261D+00  0.744314D+01 -0.166713D+00  0.105415D-01
                21            22            23            24            25 
      1  -0.166713D+00 -0.132173D+00  0.288916D+01  0.474516D-01  0.122105D-01
      2   0.105415D-01  0.288916D+01  0.653127D+01 -0.104707D+00  0.137923D+00
      3  -0.283528D+00  0.474516D-01 -0.104707D+00  0.610795D+00 -0.209239D+00
                26            27            28            29            30 
      1   0.137923D+00 -0.209239D+00 -0.792959D+01  0.180980D+01  0.376295D+00
      2   0.367653D+00  0.306577D+00  0.180980D+01 -0.303772D+01 -0.246522D+00
      3   0.306577D+00 -0.502938D+00  0.376295D+00 -0.246522D+00 -0.977019D+00
                31            32            33            34            35 
      1  -0.207903D+01 -0.402387D+01 -0.812616D-01  0.981539D+00 -0.193875D+00
      2  -0.402387D+01 -0.950610D+00  0.195840D+00 -0.193875D+00  0.184635D+00
      3  -0.812616D-01  0.195840D+00  0.542343D+00 -0.175129D+01  0.125484D+01
                36            37            38            39            40 
      1  -0.175129D+01  0.785746D+00  0.294866D+01 -0.157485D+01  0.643739D+01
      2   0.125484D+01  0.294866D+01 -0.111370D+01  0.598192D+00 -0.901414D+00
      3   0.705710D+00 -0.157485D+01  0.598192D+00 -0.546832D+00  0.640924D+00
                41            42            43            44            45 
      1  -0.901414D+00  0.640924D+00 -0.381416D+01  0.828069D+00  0.818545D+00
      2   0.248273D+01 -0.105605D+01  0.828069D+00 -0.105634D+01  0.512590D+00
      3  -0.105605D+01  0.498825D+00  0.818545D+00  0.512590D+00 -0.711632D+00
                46            47            48            49            50 
      1  -0.255796D+01 -0.239936D+01  0.103192D+01 -0.142504D+01 -0.171150D+01
      2  -0.239936D+01 -0.192841D+01  0.923896D-01 -0.171150D+01  0.444535D+01
      3   0.103192D+01  0.923896D-01 -0.200014D+01  0.351275D+00  0.699642D+00
                51            52            53            54            55 
      1   0.351275D+00  0.138640D+01  0.352181D+00 -0.205492D+01 -0.216290D+01
      2   0.699642D+00  0.352181D+00  0.705658D+00 -0.102194D+01 -0.312905D+01
      3  -0.742465D+00 -0.205492D+01 -0.102194D+01 -0.442780D+01 -0.633296D-02
                56            57            58            59            60 
      1  -0.312905D+01 -0.633296D-02 -0.442922D+01 -0.289395D+01  0.715085D-02
      2  -0.298391D+01 -0.171441D+00 -0.289395D+01 -0.131748D+02  0.562679D-01
      3  -0.171441D+00 -0.409364D+00  0.715085D-02  0.562679D-01 -0.250022D+01
                61            62            63            64            65 
      1  -0.134010D+00  0.226279D-01 -0.104606D+01  0.490178D+00 -0.511176D+00
      2   0.226279D-01  0.190945D+00 -0.317569D+01 -0.511176D+00  0.510127D+00
      3  -0.104606D+01 -0.317569D+01  0.131248D+00 -0.105426D+01 -0.677458D-01
                66            67            68            69            70 
      1  -0.105426D+01 -0.832494D+00  0.389332D+00  0.820323D-01 -0.207328D+01
      2  -0.677458D-01  0.389332D+00  0.627294D+00 -0.105191D+01 -0.213333D+00
      3   0.100597D+01  0.820323D-01 -0.105191D+01 -0.239787D+00  0.710078D+00
                71            72            73            74            75 
      1  -0.213333D+00  0.710078D+00 -0.442899D+00  0.203866D+00  0.116105D+01
      2  -0.153906D+01  0.263982D+00  0.203866D+00 -0.341179D+00  0.130690D+00
      3   0.263982D+00 -0.869482D+01  0.116105D+01  0.130690D+00 -0.939404D+00
                76            77            78            79            80 
      1   0.598191D+00 -0.221054D+00 -0.391639D-02  0.211089D+01 -0.220177D+00
      2  -0.221054D+00 -0.810716D+00  0.102846D+01 -0.220177D+00  0.128857D+01
      3  -0.391639D-02  0.102846D+01  0.160490D+00 -0.402018D+00 -0.116247D+01
                81            82            83            84            85 
      1  -0.402018D+00 -0.875223D+00 -0.818939D+00 -0.580596D+00 -0.146579D+01
      2  -0.116247D+01 -0.818939D+00 -0.371109D+00  0.231863D-01 -0.463667D-01
      3   0.889259D+01 -0.580596D+00  0.231863D-01 -0.729260D-01 -0.833972D-01
                86            87            88            89            90 
      1  -0.463667D-01 -0.833972D-01 -0.118150D+01  0.824334D-01 -0.190365D+00
      2  -0.821999D+01 -0.117401D+01  0.824334D-01 -0.186598D+01 -0.143256D+01
      3  -0.117401D+01 -0.122570D+01 -0.190365D+00 -0.143256D+01 -0.107573D+00
                91            92            93            94            95 
      1   0.222610D+01  0.198129D+01 -0.123479D+00  0.512071D+01  0.103443D+00
      2   0.198129D+01  0.717724D+00  0.123025D+00  0.103443D+00  0.518588D+01
      3  -0.123479D+00  0.123025D+00 -0.338113D+00 -0.795115D-01  0.111835D+00
                96            97            98            99           100 
      1  -0.795115D-01 -0.320852D+00 -0.830242D-01 -0.653338D+00  0.220958D+00
      2   0.111835D+00 -0.830242D-01 -0.122824D+00  0.643344D+00  0.866282D+00
      3   0.900391D+00 -0.653338D+00  0.643344D+00  0.324687D-01  0.799688D+00
               101           102           103           104           105 
      1   0.866282D+00  0.799688D+00  0.598736D+00  0.322764D+00  0.425488D+00
      2   0.544835D+00  0.652498D+00  0.322764D+00  0.119072D+01  0.814962D+00
      3   0.652498D+00  0.111173D+01  0.425488D+00  0.814962D+00  0.681831D+00
               106           107           108           109           110 
      1   0.167445D+01  0.498607D+00  0.156566D+01  0.343207D+01  0.282406D+01
      2   0.498607D+00  0.246763D+01  0.209889D+01  0.282406D+01  0.347589D+01
      3   0.156566D+01  0.209889D+01  0.635801D+01 -0.117553D+01 -0.905335D+00
               111           112           113           114           115 
      1  -0.117553D+01  0.296183D+01  0.241519D+01 -0.778850D+00 -0.233925D+01
      2  -0.905335D+00  0.241519D+01  0.367758D+01 -0.973745D+00 -0.134118D+01
      3   0.132015D+01 -0.778850D+00 -0.973745D+00  0.107365D+01  0.135423D+01
               116           117           118           119           120 
      1  -0.134118D+01  0.135423D+01  0.837383D+01 -0.249317D+01  0.963737D+00
      2  -0.214026D+01  0.142652D+01 -0.249317D+01  0.193841D+01 -0.443096D+00
      3   0.142652D+01 -0.144478D+01  0.963737D+00 -0.443096D+00  0.123121D+01
               121           122           123           124           125 
      1  -0.464444D+01  0.263027D+01 -0.557572D+00  0.236943D+01 -0.757527D+00
      2   0.263027D+01 -0.194770D+01  0.551782D+00 -0.757527D+00  0.654950D+00
      3  -0.557572D+00  0.551782D+00 -0.714225D+00  0.130204D+01 -0.495442D+00
               126 
      1   0.130204D+01
      2  -0.495442D+00
      3   0.348394D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.129235D+01  0.389279D+00  0.249201D+01 -0.884156D+00  0.758586D+01
      2   0.235582D+01 -0.115440D+01 -0.827390D-01 -0.118035D+00  0.686511D+00
      3   0.286928D+01  0.139125D+01  0.240117D+00  0.663122D+01 -0.677864D+01
                 6             7             8             9            10 
      1  -0.102001D+01  0.190019D+01  0.290348D+01 -0.692300D+01 -0.131949D+01
      2  -0.576365D+00 -0.161968D+01  0.996841D+00 -0.558597D+01  0.145928D+01
      3  -0.210149D+01 -0.249771D+01 -0.255086D+01 -0.251272D+01  0.137211D+01
                11            12            13            14            15 
      1   0.788005D+00 -0.659443D+00  0.100427D+01  0.303023D+00 -0.447062D+00
      2  -0.776413D+00  0.342660D+01  0.225369D+01 -0.197429D+01  0.949208D+00
      3  -0.517916D+01  0.533814D+00 -0.916857D+00  0.742741D+00  0.589584D+00
                16            17            18            19            20 
      1  -0.125527D+01  0.471229D+01  0.164479D+00  0.817878D+00  0.776969D+00
      2  -0.295742D+01  0.349809D+00  0.913112D+00 -0.447809D+01  0.139215D+00
      3  -0.847914D+00  0.112912D+01  0.651679D+00 -0.689791D+01  0.795619D+00
                21            22            23            24            25 
      1   0.322109D+00  0.194700D+01  0.785551D-01  0.970507D+01 -0.454784D+00
      2  -0.603129D+01 -0.620546D+00  0.174777D+01 -0.190206D+01 -0.182921D+02
      3  -0.158468D+00 -0.863769D+00  0.102389D+02 -0.174764D+01  0.260935D+01
                26            27            28            29            30 
      1   0.995717D+01 -0.931757D-02 -0.864695D+00 -0.642159D+00  0.293333D+01
      2  -0.131961D+01  0.322011D+01  0.492106D+00  0.296001D+00  0.796701D+01
      3  -0.225951D+01  0.107943D+01 -0.565219D+01 -0.158663D+02 -0.561490D-01
                31            32            33            34            35 
      1  -0.225673D+00 -0.656379D+00 -0.406327D+01  0.849740D+00  0.208949D+01
      2   0.985519D+00 -0.230625D+00 -0.951184D+00  0.528208D+01 -0.111581D+01
      3  -0.119276D+02 -0.104241D+02  0.148640D+00 -0.242541D-01  0.192900D+01
                36            37            38            39            40 
      1  -0.514158D+00 -0.575685D+00 -0.658216D+00 -0.177856D+01  0.105360D+01
      2  -0.212400D+01 -0.694952D+01  0.198438D+01  0.440951D+01  0.246093D+01
      3   0.179313D+01 -0.134416D+02 -0.303931D+01 -0.106364D+01  0.511215D+01
                41            42            43            44            45 
      1  -0.797609D+00 -0.175232D+01 -0.182063D-01  0.316443D+01 -0.223117D+00
      2  -0.234856D+01  0.389546D+01 -0.406870D+01  0.188282D+01 -0.387986D+01
      3  -0.973299D+01  0.206891D+01 -0.102472D+01  0.386370D+01 -0.197373D+01
                46            47            48            49            50 
      1  -0.260283D+01 -0.120239D+01  0.508549D+01 -0.240438D+01 -0.380953D+01
      2  -0.720019D-02  0.175848D+01  0.372336D+01  0.502954D+00  0.523918D+00
      3  -0.564528D+01 -0.119000D+02  0.163402D+01  0.151765D+01 -0.196111D+01
                51            52            53            54            55 
      1  -0.289007D+01  0.570497D+01  0.709407D+01  0.832968D+01  0.205220D+00
      2  -0.739443D+00 -0.350475D+01 -0.742838D+00  0.336265D+00  0.186197D+00
      3   0.929122D+00  0.365264D+01  0.125032D+01 -0.477863D+01  0.379835D+00
                56            57            58            59            60 
      1   0.637622D-01 -0.316599D+01 -0.167385D+00  0.100448D+01 -0.114672D+02
      2   0.746506D-01  0.514263D+01 -0.119271D+01 -0.934384D+00  0.465175D+01
      3  -0.571405D+01 -0.161175D+00  0.107585D+02 -0.184605D+02  0.637683D+00
                61            62            63            64            65 
      1  -0.404147D+00  0.930284D+00  0.430360D+00  0.301036D+00 -0.824189D+00
      2   0.245452D+01  0.441463D+01 -0.117466D+01  0.794593D+00 -0.174244D+00
      3  -0.156900D+01  0.602168D+00 -0.455801D+01  0.236053D+00 -0.644761D+00
                66            67            68            69            70 
      1   0.110585D+00 -0.621568D+00 -0.666812D+00 -0.374698D+00  0.316886D+00
      2   0.678821D+00 -0.319684D+00  0.469723D+00 -0.406575D+00 -0.257597D+01
      3  -0.252943D+00  0.126982D+01 -0.268864D+00  0.223578D+00 -0.795438D-01
                71            72            73            74            75 
      1   0.282423D+01  0.104008D+01  0.113346D+01 -0.514440D+00 -0.374532D+00
      2  -0.115424D+00 -0.184341D+01  0.198781D+01  0.317385D+00 -0.575949D+00
      3   0.273079D+00  0.196598D+00  0.532165D+00 -0.797396D+00 -0.113085D+01
                76            77            78            79            80 
      1  -0.436148D+00  0.455760D+00 -0.411890D+00 -0.838938D+00  0.281446D+01
      2  -0.121548D+00  0.147472D+01 -0.878127D-01 -0.504124D+01 -0.954137D+00
      3   0.406338D+00  0.816291D+00 -0.988127D+00 -0.169678D+01 -0.105632D+01
                81            82            83            84            85 
      1   0.821114D+01 -0.110841D+01 -0.774190D-03 -0.368736D+00 -0.293013D+00
      2   0.927524D+01 -0.596391D+00  0.257913D+00  0.624856D+00 -0.345950D+00
      3   0.183407D+01  0.327303D+01  0.126731D+01  0.713648D+00  0.546518D+01
                86            87            88            89            90 
      1  -0.433353D+01 -0.419961D+01 -0.372372D+00 -0.143735D+01 -0.974330D+00
      2  -0.595920D+00 -0.922894D+00 -0.125338D+01 -0.110694D+01 -0.318153D+00
      3   0.957934D+01  0.175937D+01  0.203232D+01  0.210100D+01  0.182885D+01
                91            92            93            94            95 
      1   0.681997D+00  0.413659D+00  0.856378D+00  0.305104D+00  0.834315D+00
      2  -0.614579D+00 -0.607654D+00 -0.151308D+01 -0.470658D+00 -0.710981D+00
      3   0.848972D+01  0.992749D+01 -0.130427D-01  0.134863D+02  0.169754D+02
                96            97            98            99           100 
      1  -0.120708D+01  0.101405D+01  0.976132D+00  0.289965D+00 -0.132601D+01
      2  -0.231634D+01 -0.213764D+01 -0.180937D+01  0.739157D-01 -0.489535D+00
      3   0.483742D+00 -0.532364D+00 -0.907744D+00 -0.149927D+00  0.546343D+00
               101           102           103           104           105 
      1  -0.675106D+00 -0.283899D+01 -0.399262D+00 -0.188902D+01 -0.211203D+01
      2   0.995978D-01  0.422796D+00  0.120241D+00 -0.113256D+00  0.358900D+00
      3   0.980301D+00  0.975246D+00  0.183439D+01  0.451807D+00  0.576358D+00
               106           107           108           109           110 
      1  -0.413875D+01 -0.193776D+01 -0.130343D+02  0.266152D+01  0.209730D+01
      2  -0.221263D+01  0.606305D+00  0.731209D+00  0.709291D+00 -0.289993D+00
      3   0.337514D+01  0.932928D-02  0.321771D+01  0.770306D+01  0.345404D+01
               111           112           113           114           115 
      1  -0.369924D+01  0.189724D+01  0.195421D+01 -0.248758D+01 -0.299984D+01
      2   0.108810D+01 -0.103688D+00  0.188986D-01  0.880344D+00 -0.699077D+00
      3  -0.243205D+01  0.668025D+01  0.304492D+01 -0.144739D+01 -0.557438D+01
               116           117           118           119           120 
      1  -0.185344D+01  0.267847D+01  0.703656D+00 -0.116942D-01  0.108558D+01
      2   0.403220D+00 -0.772064D+00  0.481460D+01 -0.202573D+01  0.481269D+01
      3  -0.191436D+01  0.239848D+01  0.638000D+01 -0.720425D+01  0.127291D+01
               121           122           123           124           125 
      1  -0.440023D+00  0.374913D-01 -0.136557D+01  0.551838D+00  0.291703D+00
      2  -0.303051D+01  0.198648D+01 -0.283300D+01  0.305881D+01 -0.134507D+01
      3  -0.588641D+01  0.563242D+01 -0.146785D+01  0.217721D+01 -0.246893D+01
               126 
      1   0.432625D+00
      2   0.148378D+01
      3   0.973061D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.175396D+02  0.172228D+00 -0.202695D+01 -0.824267D+01  0.134224D+02
      2   0.988049D+01 -0.319198D+01 -0.447368D+01  0.399262D+01 -0.189938D+02
      3   0.765910D+01  0.301975D+01  0.650063D+01  0.425005D+01  0.557140D+01
      4  -0.407201D+01  0.289242D+00 -0.187230D+01  0.711850D+01  0.670841D+01
      5   0.427853D+01 -0.211401D+01 -0.384749D+01  0.959148D+00  0.352110D+01
      6  -0.404631D+01  0.242289D+01 -0.296994D+01  0.849833D+00 -0.653810D+01
                 6             7             8             9            10 
      1   0.248582D+01  0.600790D+01  0.227173D+01  0.177845D+02 -0.512056D+00
      2  -0.605641D+01 -0.531341D+01 -0.487839D+01  0.221612D+01  0.412138D+01
      3   0.357059D+01 -0.694484D+00  0.260665D+01 -0.200006D+02 -0.360933D+01
      4   0.296889D+01 -0.400265D-01  0.517952D+01  0.963801D+00  0.348535D+00
      5  -0.955916D+00  0.400064D+01  0.220818D+01 -0.144510D+02 -0.306911D+00
      6   0.833258D+00 -0.144735D+01 -0.117170D+01  0.807163D+01  0.133592D+01
                11            12            13            14            15 
      1   0.945569D+00 -0.991483D+00  0.187951D+01  0.467987D+01  0.559148D+00
      2  -0.877260D-01  0.203950D-01 -0.472492D+00 -0.777349D+01 -0.899969D+00
      3  -0.857843D+00  0.971088D+00 -0.140702D+01  0.309363D+01  0.340821D+00
      4   0.295958D+01  0.434277D+00 -0.672056D+01 -0.153220D+00 -0.107725D+01
      5   0.819031D+00  0.919008D+00 -0.195668D+00 -0.643796D+00  0.100965D+01
      6  -0.197608D+01  0.166739D+00 -0.255339D+01 -0.247118D-01 -0.357054D+01
                16            17            18            19            20 
      1  -0.577579D+01  0.137486D+00  0.650682D+01 -0.574250D+01  0.109555D+02
      2   0.389377D+00 -0.324300D+01  0.106317D+02  0.615549D+00 -0.107636D+02
      3   0.538641D+01  0.310552D+01 -0.171385D+02  0.512695D+01 -0.191864D+00
      4  -0.232688D+01 -0.132261D+01  0.692844D+00  0.507887D+01 -0.139676D+02
      5  -0.114719D+01 -0.494703D+00  0.830017D+01 -0.603788D+00 -0.155426D+01
      6   0.266899D+00  0.149727D+01  0.147913D+01 -0.504148D+00  0.111547D+00
                21            22            23            24            25 
      1  -0.703115D+00 -0.511669D+00  0.621734D+01 -0.101326D+00  0.257253D+01
      2  -0.164376D+01 -0.421305D+01 -0.180626D+02  0.776222D+00 -0.233030D+01
      3   0.234687D+01  0.472472D+01  0.118453D+02 -0.674896D+00 -0.242230D+00
      4  -0.976797D+00 -0.242607D+02 -0.231387D+02  0.537907D+00 -0.402466D+00
      5  -0.732445D+01 -0.184121D+01 -0.305558D+00 -0.162037D+01  0.199017D+01
      6   0.146863D+01 -0.596778D+00 -0.135813D+01 -0.145527D+02 -0.203923D+00
                26            27            28            29            30 
      1  -0.245531D+01 -0.527571D+01  0.434939D+02 -0.834056D+01 -0.367239D+00
      2   0.155951D+01 -0.649489D+01 -0.264987D+02  0.171054D+01  0.948938D+00
      3   0.895799D+00  0.117706D+02 -0.169953D+02  0.663002D+01 -0.581699D+00
      4   0.299672D+01 -0.215262D+01 -0.212202D+02  0.190742D+02  0.101922D+01
      5  -0.155179D+01  0.315019D+01 -0.144622D+01  0.512723D+00  0.145683D+02
      6   0.379235D+01  0.457121D-01  0.606491D+00 -0.504562D+00 -0.496755D+01
                31            32            33            34            35 
      1   0.488727D+01  0.100471D+02 -0.755252D+00 -0.145579D+01  0.629463D+00
      2  -0.682612D+01 -0.330266D+01  0.226043D+00  0.183116D+01  0.175524D+00
      3   0.193886D+01 -0.674441D+01  0.529209D+00 -0.375371D+00 -0.804987D+00
      4   0.165032D+02 -0.460531D+01 -0.133465D+01  0.156758D+01 -0.163369D+01
      5  -0.792692D+00 -0.154252D+01 -0.343156D+01  0.139349D+02 -0.594628D+01
      6  -0.905145D+00  0.935653D+00  0.823759D+01 -0.206571D+01  0.556859D+01
                36            37            38            39            40 
      1   0.525477D+01  0.108342D+02  0.162325D+02 -0.678705D+01  0.337633D+02
      2  -0.763356D+01 -0.938440D+01 -0.684236D+01  0.661573D+01 -0.177078D+02
      3   0.237878D+01 -0.144980D+01 -0.939011D+01  0.171325D+00 -0.160556D+02
      4  -0.548980D+01  0.201621D+02  0.205446D+01  0.421889D+01 -0.476842D+01
      5  -0.387437D+01 -0.117921D+02  0.397647D+01  0.909994D+01  0.407665D+01
      6   0.113725D+01  0.254485D+01 -0.936587D+00  0.964940D+00 -0.985821D+00
                41            42            43            44            45 
      1  -0.682458D+01  0.328288D+01 -0.193453D+02  0.386761D+01 -0.292108D+00
      2   0.604128D+01  0.587480D-01  0.103769D+02 -0.167663D+01 -0.580570D+01
      3   0.783300D+00 -0.334162D+01  0.896841D+01 -0.219098D+01  0.609781D+01
      4   0.152160D+02 -0.576057D+01  0.717872D+01 -0.701369D+01  0.280629D+01
      5  -0.505662D+01  0.551671D+01  0.900726D+01  0.357247D+01 -0.739566D+01
      6   0.160805D+01  0.330536D+01 -0.520855D+00  0.320824D+01  0.119706D+01
                46            47            48            49            50 
      1   0.125132D+02  0.157465D+01  0.147045D+01  0.198407D+01 -0.169564D+02
      2  -0.127964D+02 -0.689242D+01  0.178977D+01 -0.589460D+01  0.254611D+02
      3   0.283192D+00  0.531777D+01 -0.326022D+01  0.391054D+01 -0.850467D+01
      4  -0.993615D+01 -0.617801D+01  0.323468D+01 -0.432443D+00 -0.554174D+01
      5   0.205083D+01  0.134169D+01  0.994515D+00  0.114998D+01  0.832134D+00
      6   0.484228D+01  0.290612D+01 -0.882843D+01  0.341229D+01  0.516358D+01
                51            52            53            54            55 
      1  -0.915445D+00 -0.969398D-01  0.713859D+00  0.160838D+01  0.107995D+02
      2   0.370961D+01  0.335006D+01  0.434360D+01 -0.208256D+00 -0.166725D+01
      3  -0.279417D+01 -0.325312D+01 -0.505746D+01 -0.140012D+01 -0.913221D+01
      4   0.185260D+01  0.481184D+01  0.258343D+01 -0.863725D+01  0.172304D+02
      5  -0.237129D+01  0.737692D+00 -0.326696D+01 -0.417819D+01  0.953465D+00
      6   0.278131D+01 -0.964722D+01 -0.248063D+01 -0.131201D+02  0.552835D+00
                56            57            58            59            60 
      1   0.449074D+01 -0.420039D+00  0.914589D+01 -0.217832D+02 -0.317308D+00
      2   0.358434D+01  0.546609D+00  0.273720D+01  0.423726D+02 -0.346337D+00
      3  -0.807507D+01 -0.126570D+00 -0.118831D+02 -0.205894D+02  0.663645D+00
      4   0.225443D+02  0.624295D+00  0.263143D+02  0.469719D+02  0.717313D+00
      5   0.887960D+00  0.792229D+01  0.113653D+01  0.141439D+01  0.912199D+01
      6   0.711823D+00  0.425646D+01  0.100878D+01  0.855269D+00  0.178514D+02
                61            62            63            64            65 
      1  -0.214350D+00  0.467718D+00 -0.375104D+01  0.733021D+00 -0.138918D+00
      2   0.659298D+00 -0.925872D+00  0.249406D+01 -0.378515D+01  0.665330D-01
      3  -0.444948D+00  0.458154D+00  0.125697D+01  0.305213D+01  0.723846D-01
      4  -0.208114D+00 -0.930611D+00  0.110088D+02 -0.444730D+00  0.135719D+01
      5   0.893576D+01  0.111306D+02 -0.488214D+00 -0.171883D+01 -0.334717D+00
      6   0.380461D+01  0.138669D+02 -0.198518D+00 -0.531277D+00  0.534645D+00
                66            67            68            69            70 
      1  -0.136793D+00  0.142140D+00 -0.387383D+01 -0.382580D-01  0.934187D+00
      2   0.147768D+01  0.681778D+00  0.359674D+00 -0.874129D+00  0.258745D+01
      3  -0.134089D+01 -0.823918D+00  0.351415D+01  0.912387D+00 -0.352163D+01
      4  -0.452661D+00  0.272705D+01 -0.153017D+00 -0.481810D+00  0.950635D+00
      5   0.662701D+01  0.157684D+00 -0.805208D+00 -0.510841D+00  0.495973D+01
      6   0.381443D+00 -0.564750D-01  0.188388D+00  0.664929D+01  0.202544D+00
                71            72            73            74            75 
      1   0.157614D+01 -0.174145D+02 -0.900980D+00  0.283611D+00  0.520194D+01
      2  -0.566380D+00 -0.159601D+02 -0.264761D+01 -0.139399D+00 -0.100347D+01
      3  -0.100976D+01  0.333746D+02  0.354859D+01 -0.144212D+00 -0.419847D+01
      4  -0.563368D+00 -0.266123D+00  0.662125D+00  0.773802D+00 -0.144785D+01
      5   0.366424D+00 -0.754010D+01  0.169846D+01 -0.274698D+00  0.422610D+01
      6   0.423459D+01 -0.303571D+01 -0.134509D+01 -0.102029D+01  0.814535D+00
                76            77            78            79            80 
      1   0.138658D+01 -0.535343D+01  0.151603D+01  0.726932D+01  0.290358D+01
      2  -0.749738D+00  0.277646D+01 -0.125214D+01 -0.216209D+01 -0.409254D+00
      3  -0.636847D+00  0.257697D+01 -0.263894D+00 -0.510724D+01 -0.249432D+01
      4   0.246728D+00 -0.128949D+01  0.249719D+01 -0.283057D+01  0.247756D+01
      5  -0.912392D-01  0.224645D+01  0.472958D+00  0.400100D+01 -0.304542D+01
      6  -0.828335D-02 -0.148720D+01  0.593559D+01  0.309842D+00  0.668568D+01
                81            82            83            84            85 
      1  -0.227942D+02 -0.112850D+01 -0.408100D+01 -0.172340D+01 -0.500955D+01
      2  -0.108621D+02  0.341867D+01  0.341716D+01  0.123590D+01  0.344976D+01
      3   0.336563D+02 -0.229017D+01  0.663843D+00  0.487507D+00  0.155978D+01
      4  -0.141571D+01 -0.991757D+00  0.346513D+01  0.113246D+01  0.492355D+01
      5   0.184903D+02 -0.109485D+01  0.373255D+00  0.983002D+00 -0.125653D+00
      6  -0.130460D+02  0.144349D+01  0.191797D+00  0.339434D+00  0.369327D+00
                86            87            88            89            90 
      1  -0.190377D+02 -0.251548D+01 -0.311800D+01 -0.377773D+01 -0.590728D+01
      2   0.319789D+02  0.497930D+01  0.238278D+01  0.570036D+01  0.337110D+01
      3  -0.129413D+02 -0.246382D+01  0.735220D+00 -0.192262D+01  0.253618D+01
      4  -0.173516D+02 -0.216741D+01  0.149303D+01 -0.430770D+01 -0.278548D+01
      5  -0.256802D+01 -0.239470D+01  0.541768D+00 -0.343395D+01 -0.592336D+00
      6   0.382869D+01  0.537460D+01  0.176587D+00  0.678038D+01  0.254683D+01
                91            92            93            94            95 
      1  -0.112221D+02 -0.308537D+01  0.378821D-01 -0.134480D+02 -0.686134D+01
      2   0.980935D+01  0.733925D+00  0.211026D+00  0.716855D+01  0.113224D+02
      3   0.141275D+01  0.235145D+01 -0.248908D+00  0.627949D+01 -0.446102D+01
      4  -0.750690D+00 -0.584603D+00 -0.288932D+00  0.850500D+01 -0.175062D+02
      5   0.743828D+00  0.471473D+00 -0.181872D+01  0.115068D+01  0.304783D+00
      6  -0.129285D+00  0.217793D-01 -0.165996D+01  0.601978D-01  0.355385D+00
                96            97            98            99           100 
      1   0.259636D+00  0.838077D+00  0.174338D+00 -0.115807D+01 -0.952108D+00
      2  -0.204982D+00 -0.569154D+00 -0.299910D+00  0.358098D+00  0.953802D+00
      3  -0.546542D-01 -0.268923D+00  0.125572D+00  0.799973D+00 -0.169370D-02
      4  -0.340982D+00 -0.403018D+00  0.215958D+00 -0.269820D+01  0.227359D+01
      5  -0.413460D+01  0.242951D+01 -0.239684D+01  0.919648D-01  0.224510D+01
      6   0.194936D+01 -0.184006D+01  0.294809D+01 -0.156215D+00  0.274823D+01
               101           102           103           104           105 
      1  -0.895193D+00 -0.583698D+00 -0.210045D+00 -0.322446D+01 -0.181229D+01
      2   0.162290D+01  0.199360D+00  0.575001D+00  0.379498D+01  0.258451D+01
      3  -0.727706D+00  0.384338D+00 -0.364956D+00 -0.570522D+00 -0.772224D+00
      4   0.425562D+01  0.305248D+01  0.369005D+01  0.251170D+01  0.220989D+01
      5   0.182375D+01  0.417565D+01  0.669826D+00  0.150129D+01  0.144973D+01
      6   0.269043D+01  0.504068D+01  0.215338D+01  0.359786D+01  0.601470D+01
               106           107           108           109           110 
      1  -0.161060D+00 -0.595258D+01 -0.966633D+01  0.825103D+00 -0.350609D+01
      2  -0.123538D+01  0.449795D+01 -0.303264D+01  0.624358D+01  0.108158D+02
      3   0.139644D+01  0.145463D+01  0.126990D+02 -0.706868D+01 -0.730975D+01
      4   0.469536D+01  0.448845D+01  0.584622D+01  0.140659D+02  0.150640D+02
      5   0.419269D+01  0.290022D+01  0.788915D+01 -0.381704D+01 -0.302345D+01
      6   0.604152D+01  0.985175D+01  0.224521D+02 -0.646065D+01 -0.564686D+01
               111           112           113           114           115 
      1  -0.700522D-01 -0.219091D+01 -0.593830D+01  0.148076D+01  0.112887D+01
      2  -0.258241D+01  0.776528D+01  0.138367D+02 -0.404664D+01 -0.311677D+01
      3   0.265246D+01 -0.557437D+01 -0.789842D+01  0.256588D+01  0.198790D+01
      4  -0.553912D+01  0.127945D+02  0.117657D+02 -0.412318D+01 -0.766344D+01
      5   0.400208D+01 -0.142255D+01 -0.263068D+01  0.172929D+01  0.415523D+01
      6   0.608055D+01 -0.458053D+01 -0.625290D+01  0.540855D+01  0.671836D+01
               116           117           118           119           120 
      1   0.348797D+01 -0.263690D+01  0.483115D+02 -0.149927D+02  0.620492D+01
      2  -0.582541D+01  0.246727D+01 -0.230196D+02  0.615880D+01 -0.289478D+01
      3   0.233744D+01  0.169626D+00 -0.252918D+02  0.883387D+01 -0.331015D+01
      4  -0.655463D+01  0.616604D+01 -0.226947D+02  0.139502D+02 -0.334082D+01
      5   0.343429D+01 -0.343161D+01  0.813854D+01 -0.310739D+01  0.765975D+01
      6   0.823034D+01 -0.658973D+01 -0.105735D+01  0.493342D+00 -0.108752D+01
               121           122           123           124           125 
      1  -0.233834D+02  0.121150D+02 -0.299413D+01  0.118637D+02 -0.390948D+01
      2   0.910854D+01 -0.306828D+01  0.107660D+01 -0.640261D+01  0.168268D+01
      3   0.142749D+02 -0.904668D+01  0.191753D+01 -0.546107D+01  0.222680D+01
      4   0.204936D+02 -0.137233D+02  0.383109D+01 -0.682265D+01  0.438466D+01
      5  -0.483149D+01  0.373225D+01 -0.388108D+01  0.939527D+01 -0.376503D+01
      6   0.116164D+01 -0.107401D+01  0.196931D+01 -0.208404D+01  0.204563D+01
               126 
      1   0.561709D+01
      2  -0.366573D+01
      3  -0.195136D+01
      4  -0.403879D+01
      5   0.335880D+01
      6  -0.985600D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:29:32 2021, MaxMem=  5368709120 cpu:            1742.6 elap:             218.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18436 -19.16723 -19.13168 -14.35525 -10.32259
 Alpha  occ. eigenvalues --  -10.25565 -10.25020  -1.09918  -1.03816  -1.01817
 Alpha  occ. eigenvalues --   -0.91770  -0.75969  -0.66086  -0.60588  -0.57329
 Alpha  occ. eigenvalues --   -0.53432  -0.50422  -0.49166  -0.47201  -0.45562
 Alpha  occ. eigenvalues --   -0.44295  -0.40460  -0.38750  -0.37044  -0.32766
 Alpha  occ. eigenvalues --   -0.31299  -0.30548  -0.27513
 Alpha virt. eigenvalues --   -0.01534  -0.00237   0.01825   0.03522   0.03829
 Alpha virt. eigenvalues --    0.06165   0.08053   0.08571   0.09532   0.09760
 Alpha virt. eigenvalues --    0.11286   0.12502   0.13678   0.14806   0.15028
 Alpha virt. eigenvalues --    0.15324   0.15620   0.16522   0.17333   0.18700
 Alpha virt. eigenvalues --    0.20632   0.21174   0.21716   0.23124   0.23556
 Alpha virt. eigenvalues --    0.25266   0.26077   0.27170   0.27725   0.28783
 Alpha virt. eigenvalues --    0.29219   0.30245   0.30747   0.31176   0.32692
 Alpha virt. eigenvalues --    0.33476   0.35378   0.35601   0.35964   0.36775
 Alpha virt. eigenvalues --    0.37816   0.37993   0.38733   0.40869   0.41565
 Alpha virt. eigenvalues --    0.42072   0.43312   0.44355   0.45297   0.45961
 Alpha virt. eigenvalues --    0.46625   0.47006   0.47415   0.48648   0.49775
 Alpha virt. eigenvalues --    0.50631   0.51100   0.51358   0.53192   0.54103
 Alpha virt. eigenvalues --    0.54596   0.56105   0.56905   0.58159   0.58641
 Alpha virt. eigenvalues --    0.59612   0.61865   0.62567   0.63990   0.64564
 Alpha virt. eigenvalues --    0.64931   0.67052   0.67530   0.68504   0.69588
 Alpha virt. eigenvalues --    0.70549   0.73519   0.73671   0.74389   0.75013
 Alpha virt. eigenvalues --    0.76910   0.78573   0.80055   0.83091   0.86786
 Alpha virt. eigenvalues --    0.88335   0.90060   0.92870   0.94741   0.98432
 Alpha virt. eigenvalues --    1.00336   1.01352   1.02479   1.04315   1.07441
 Alpha virt. eigenvalues --    1.09439   1.11344   1.12648   1.15584   1.18023
 Alpha virt. eigenvalues --    1.19907   1.21589   1.26549   1.28642   1.36368
 Alpha virt. eigenvalues --    1.39483   1.44576   1.46895   1.49372   1.50880
 Alpha virt. eigenvalues --    1.51590   1.53024   1.56214   1.59341   1.63647
 Alpha virt. eigenvalues --    1.65042   1.69232   1.70454   1.74728   1.77768
 Alpha virt. eigenvalues --    1.79963   1.81421   1.83005   1.84892   1.85848
 Alpha virt. eigenvalues --    1.89087   1.90844   1.93182   1.93676   1.96493
 Alpha virt. eigenvalues --    1.97842   1.98668   2.06185   2.06560   2.07428
 Alpha virt. eigenvalues --    2.08870   2.10366   2.14008   2.15869   2.18029
 Alpha virt. eigenvalues --    2.18964   2.23525   2.25469   2.27798   2.30129
 Alpha virt. eigenvalues --    2.34071   2.36923   2.39247   2.43460   2.45759
 Alpha virt. eigenvalues --    2.53754   2.55948   2.60047   2.70509   2.82581
 Alpha virt. eigenvalues --    2.85707   2.86695   2.87922   2.93776   2.95832
 Alpha virt. eigenvalues --    2.97838   3.03585   3.03894   3.06003   3.08255
 Alpha virt. eigenvalues --    3.14962   3.16012   3.19215   3.26035   3.37688
 Alpha virt. eigenvalues --    3.44739   3.50379   3.54924   3.62058   3.82028
 Alpha virt. eigenvalues --    3.91909   3.94576
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.134561   0.322591  -0.062253   0.001190   0.219603  -0.000206
     2  C    0.322591   5.676282  -0.334715   0.017671  -0.127538   0.016480
     3  C   -0.062253  -0.334715   5.692277  -0.024521   0.038741  -0.199183
     4  O    0.001190   0.017671  -0.024521   8.090678   0.000329   0.016094
     5  O    0.219603  -0.127538   0.038741   0.000329   8.110410  -0.001130
     6  N   -0.000206   0.016480  -0.199183   0.016094  -0.001130   7.270682
     7  O   -0.018356   0.046435   0.115305   0.059394   0.009365   0.019369
     8  H    0.017919   0.306077  -0.022518   0.010922  -0.047444   0.040500
     9  H    0.289561   0.044347   0.032737  -0.008579  -0.087937  -0.001363
    10  H    0.322776   0.056549  -0.066941   0.007634  -0.061118  -0.000264
    11  H    0.004186  -0.048625   0.163825   0.204643   0.001559  -0.053343
    12  H   -0.027316   0.042048   0.039927  -0.011038  -0.004990   0.161040
    13  H   -0.016571   0.121553   0.036734  -0.000391   0.021905  -0.035919
    14  H    0.011910   0.045037  -0.004210  -0.000112   0.208728   0.002413
               7          8          9         10         11         12
     1  C   -0.018356   0.017919   0.289561   0.322776   0.004186  -0.027316
     2  C    0.046435   0.306077   0.044347   0.056549  -0.048625   0.042048
     3  C    0.115305  -0.022518   0.032737  -0.066941   0.163825   0.039927
     4  O    0.059394   0.010922  -0.008579   0.007634   0.204643  -0.011038
     5  O    0.009365  -0.047444  -0.087937  -0.061118   0.001559  -0.004990
     6  N    0.019369   0.040500  -0.001363  -0.000264  -0.053343   0.161040
     7  O    8.307364  -0.004912  -0.009546   0.013752  -0.028837  -0.006347
     8  H   -0.004912   0.790667   0.023862   0.010741  -0.009901   0.008593
     9  H   -0.009546   0.023862   0.798057   0.041033   0.000810   0.003357
    10  H    0.013752   0.010741   0.041033   0.828023  -0.001591   0.004293
    11  H   -0.028837  -0.009901   0.000810  -0.001591   0.523976  -0.026405
    12  H   -0.006347   0.008593   0.003357   0.004293  -0.026405   0.825222
    13  H   -0.002072  -0.039480  -0.003409  -0.000541   0.012433  -0.088490
    14  H   -0.000186   0.002715   0.012586  -0.014725   0.000042   0.000266
              13         14
     1  C   -0.016571   0.011910
     2  C    0.121553   0.045037
     3  C    0.036734  -0.004210
     4  O   -0.000391  -0.000112
     5  O    0.021905   0.208728
     6  N   -0.035919   0.002413
     7  O   -0.002072  -0.000186
     8  H   -0.039480   0.002715
     9  H   -0.003409   0.012586
    10  H   -0.000541  -0.014725
    11  H    0.012433   0.000042
    12  H   -0.088490   0.000266
    13  H    0.914006  -0.002749
    14  H   -0.002749   0.626184
 Mulliken charges:
               1
     1  C    0.800405
     2  C   -0.184192
     3  C    0.594794
     4  O   -0.363914
     5  O   -0.280484
     6  N   -0.235169
     7  O   -0.500728
     8  H   -0.087740
     9  H   -0.135515
    10  H   -0.139622
    11  H    0.257229
    12  H    0.079841
    13  H    0.082992
    14  H    0.112104
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.525268
     2  C   -0.271932
     3  C    0.594794
     4  O   -0.106685
     5  O   -0.168380
     6  N   -0.072336
     7  O   -0.500728
 Electronic spatial extent (au):  <R**2>=            825.8513
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0266    Y=              2.0042    Z=              0.6325  Tot=              4.5421
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.9400   YY=            -42.6835   ZZ=            -39.7254
   XY=             -6.4093   XZ=              2.7133   YZ=             -0.1248
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.8237   YY=              0.4328   ZZ=              3.3909
   XY=             -6.4093   XZ=              2.7133   YZ=             -0.1248
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.8712  YYY=             12.4465  ZZZ=              0.7781  XYY=             14.2388
  XXY=             -5.3031  XXZ=              5.1062  XZZ=              0.3776  YZZ=              2.5089
  YYZ=              0.9336  XYZ=             -1.8594
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -613.8780 YYYY=           -294.1667 ZZZZ=            -64.5991 XXXY=            -50.9377
 XXXZ=             20.5444 YYYX=            -11.0616 YYYZ=              1.3813 ZZZX=              1.4587
 ZZZY=              2.2014 XXYY=           -145.3801 XXZZ=           -121.2790 YYZZ=            -56.3336
 XXYZ=             -5.4771 YYXZ=             -1.3657 ZZXY=              2.2616
 N-N= 3.225193370369D+02 E-N=-1.578334288806D+03  KE= 3.950379806365D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:29:32 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.59951754D+00 7.94022650D-01 2.48180091D-01
 Polarizability= 6.09590844D+01-3.50372554D-01 5.94450683D+01
                -5.67215220D-01-3.40345930D-01 4.34226324D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3356    0.3355       -0.1446   -0.1444
 2     -0.3356   -0.3355        0.1008    0.1011       -1.0380   -1.0385
 3      0.1446    0.1444        9.4738    9.4737       -0.1014   -0.1011
 4     -0.1008   -0.1011       -0.0000    0.0000        0.1444    0.1444
 5     -8.4359   -8.4352       -0.1444   -0.1444        0.3355    0.3355
 6      0.1014    0.1011       -0.3355   -0.3355        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0065   -1.0065       -0.4332   -0.4332
 2     -0.3033   -0.3033       -0.0000    0.0000       -0.4332   -0.4332
 3     -0.3033   -0.3033       -1.0065   -1.0065        0.0000    0.0000
 4     -1.0065   -1.0065        0.3033    0.3033       -3.1154   -3.1154
 5      0.4332    0.4332       28.4211   28.4211       -0.3033   -0.3033
 6    -25.3057  -25.3057       -0.4332   -0.4332        1.0065    1.0065
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0038    0.0000       -1.3517   -1.3419        0.6444    0.5776
 2      1.3497    1.3419       -0.3779   -0.4044        4.2470    4.1539
 3     -0.5793   -0.5776      -37.9152  -37.8948        0.4007    0.4044
 4      0.4086    0.4044       -0.0113    0.0000       -0.6250   -0.5776
 5     33.7153   33.7409        0.5886    0.5776       -1.3363   -1.3419
 6     -0.4185   -0.4044        1.3412    1.3419       -0.0039    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0137    0.0000        5.0051    4.9754       -0.8204   -0.8434
 2     -5.0271   -4.9754       16.9054   16.8617        0.5331    0.5541
 3      0.8557    0.8434        5.4864    5.5406      -16.8839  -16.8617
 4    -16.8595  -16.8617       -0.0599    0.0000        0.8411    0.8434
 5     -5.9583   -6.0947       -0.8746   -0.8434        4.9897    4.9754
 6     16.8534   16.8617       -4.9713   -4.9754       -0.0124    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.7133   -8.6977        5.4733    5.5065        1.2500    1.2692
 2    -33.1085  -33.0904        5.9768    6.0177        1.2520    1.2692
 3    -33.1157  -33.0904        5.4341    5.5065        0.8651    0.8874
 4     -0.5288   -0.5113       24.4400   24.3928       -0.7851   -0.7358
 5     -0.3920   -0.3817       11.0561   11.0882      -24.4828  -24.3928
 6    -10.1427  -10.3524        0.3275    0.3817        0.6323    0.5113
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1714   -0.0004    0.0003    0.0009    1.8975    3.7422
 Low frequencies ---   68.2486  116.9717  200.2556
 Diagonal vibrational polarizability:
       31.4846613      37.2093199      65.9170475
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     68.2485               116.9716               200.2556
 Red. masses --      4.4028                 3.3953                 4.3737
 Frc consts  --      0.0121                 0.0274                 0.1033
 IR Inten    --      1.4082                11.8872                23.7884
 RamAct Fr= 1--      0.3999                 0.1123                 0.5942
  Dep-P Fr= 1--      0.7350                 0.7106                 0.6993
  Dep-U Fr= 1--      0.8473                 0.8308                 0.8230
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0005
 Beta2  Fr= 1--      0.0565                 0.0156                 0.0815
 AlphaG Fr= 1--     -0.0011                -0.0001                 0.0016
 Gamma2 Fr= 1--      0.2302                 0.2303                 0.1285
 Delta2 Fr= 1--      0.1674                 0.1696                -0.0022
 Raman1 Fr= 1--       1.600                  0.449                  2.377
 ROA1   Fr= 1--      27.459                 27.537                 12.266
 CID1   Fr= 1--      17.166                 61.293                  5.161
 Raman2 Fr= 1--       0.678                  0.187                  0.978
 ROA2   Fr= 1--       4.186                  4.171                  3.101
 CID2   Fr= 1--       6.178                 22.347                  3.170
 Raman3 Fr= 1--       1.355                  0.373                  1.956
 ROA3   Fr= 1--      27.459                 27.537                 12.266
 CID3   Fr= 1--      20.260                 73.771                  6.270
 RC180  Fr= 1--       0.695                  0.662                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09    -0.01  -0.12  -0.21    -0.14  -0.01  -0.14
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.12    -0.01   0.17  -0.12
     3   6    -0.00  -0.01  -0.02    -0.02   0.00   0.01     0.06   0.05  -0.02
     4   8     0.06  -0.02   0.31     0.03   0.04   0.04    -0.07  -0.09   0.05
     5   8    -0.00  -0.01   0.12    -0.01   0.19   0.20     0.01  -0.21   0.13
     6   7     0.00   0.02  -0.22     0.07  -0.08  -0.05    -0.06   0.14  -0.02
     7   8    -0.03  -0.01  -0.23    -0.05   0.01   0.10     0.25   0.01   0.09
     8   1     0.03  -0.17  -0.06    -0.11   0.00  -0.13    -0.04   0.24  -0.12
     9   1    -0.10   0.18   0.09    -0.21  -0.49  -0.23    -0.29  -0.15  -0.15
    10   1    -0.02   0.01   0.20     0.19  -0.03  -0.56    -0.28   0.07  -0.28
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.21  -0.01   0.01
    12   1     0.30   0.14  -0.31     0.06  -0.16  -0.04    -0.04   0.10  -0.02
    13   1    -0.22   0.05  -0.48     0.14  -0.13  -0.00    -0.10   0.22  -0.01
    14   1    -0.03   0.01   0.22     0.01   0.17   0.11    -0.18  -0.49  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    244.2219               284.8145               321.5384
 Red. masses --      1.1023                 1.1525                 4.5292
 Frc consts  --      0.0387                 0.0551                 0.2759
 IR Inten    --    112.0380                22.5138                 3.2192
 RamAct Fr= 1--      1.2718                 0.6088                 0.1805
  Dep-P Fr= 1--      0.7374                 0.6531                 0.4523
  Dep-U Fr= 1--      0.8489                 0.7902                 0.6229
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0011
 Beta2  Fr= 1--      0.1799                 0.0802                 0.0187
 AlphaG Fr= 1--     -0.0017                 0.0029                -0.0028
 Gamma2 Fr= 1--     -0.0830                -0.1301                 0.0204
 Delta2 Fr= 1--      0.0206                -0.0681                 0.0020
 Raman1 Fr= 1--       5.087                  2.435                  0.722
 ROA1   Fr= 1--      -7.304                -14.671                  2.024
 CID1   Fr= 1--      -1.436                 -6.024                  2.804
 Raman2 Fr= 1--       2.159                  0.962                  0.225
 ROA2   Fr= 1--      -2.156                 -2.578                  0.473
 CID2   Fr= 1--      -0.998                 -2.679                  2.106
 Raman3 Fr= 1--       4.318                  1.924                  0.450
 ROA3   Fr= 1--      -7.304                -14.671                  2.024
 CID3   Fr= 1--      -1.691                 -7.624                  4.502
 RC180  Fr= 1--       0.698                  0.580                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01  -0.01  -0.03    -0.11  -0.05   0.07
     2   6     0.00   0.01  -0.02    -0.00   0.01   0.02    -0.03   0.01   0.08
     3   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01   0.04   0.03
     4   8     0.00  -0.00   0.02    -0.00   0.00  -0.06    -0.15  -0.08  -0.02
     5   8    -0.01  -0.04  -0.05     0.02  -0.01  -0.00    -0.22   0.09  -0.05
     6   7    -0.00   0.00   0.01    -0.00   0.00   0.06     0.33   0.00  -0.02
     7   8     0.02   0.00   0.01    -0.01  -0.01   0.02     0.16   0.01  -0.05
     8   1     0.00   0.03  -0.02    -0.04   0.03   0.02    -0.04  -0.08   0.08
     9   1    -0.02   0.02  -0.02     0.01  -0.06  -0.03    -0.05  -0.04   0.08
    10   1    -0.03  -0.02   0.00    -0.01   0.01  -0.06    -0.08  -0.05   0.08
    11   1    -0.01   0.00  -0.01     0.08  -0.02   0.16    -0.32  -0.01   0.05
    12   1    -0.10  -0.03   0.04     0.65   0.02  -0.12     0.53   0.00  -0.07
    13   1     0.07  -0.01   0.09    -0.51   0.22  -0.41     0.40  -0.25  -0.16
    14   1     0.05   0.49   0.85     0.01   0.07   0.15    -0.09   0.21  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    371.7136               428.1816               526.8821
 Red. masses --      4.4960                 2.8297                 5.8886
 Frc consts  --      0.3660                 0.3057                 0.9631
 IR Inten    --     11.1481                 9.8348                 0.7164
 RamAct Fr= 1--      2.8104                 0.4075                 3.0460
  Dep-P Fr= 1--      0.1518                 0.5296                 0.7322
  Dep-U Fr= 1--      0.2635                 0.6925                 0.8454
 Alpha2 Fr= 1--      0.0433                 0.0017                 0.0009
 Beta2  Fr= 1--      0.1234                 0.0470                 0.4292
 AlphaG Fr= 1--      0.0137                -0.0043                -0.0068
 Gamma2 Fr= 1--     -0.1923                -0.3327                 0.0498
 Delta2 Fr= 1--     -0.1053                -0.1843                 0.0763
 Raman1 Fr= 1--      11.241                  1.630                 12.184
 ROA1   Fr= 1--     -21.835                -37.838                  7.224
 CID1   Fr= 1--      -1.942                -23.215                  0.593
 Raman2 Fr= 1--       1.481                  0.564                  5.150
 ROA2   Fr= 1--      -3.773                 -6.511                  0.585
 CID2   Fr= 1--      -2.547                -11.537                  0.114
 Raman3 Fr= 1--       2.962                  1.129                 10.301
 ROA3   Fr= 1--     -21.835                -37.838                  7.224
 CID3   Fr= 1--      -7.371                -33.524                  0.701
 RC180  Fr= 1--      -0.473                  0.385                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.03   0.07     0.00  -0.17   0.01     0.11  -0.12   0.07
     2   6    -0.00  -0.05  -0.14     0.00  -0.02   0.21    -0.01  -0.16  -0.07
     3   6     0.08  -0.02  -0.11     0.05   0.02   0.09    -0.04   0.21  -0.05
     4   8     0.26   0.09  -0.00     0.09   0.06  -0.03    -0.22   0.12   0.05
     5   8    -0.24   0.05  -0.03    -0.10   0.01  -0.02     0.07   0.01  -0.01
     6   7    -0.07  -0.10   0.10    -0.13   0.07  -0.09    -0.16  -0.27  -0.00
     7   8     0.12  -0.03   0.06     0.09   0.01  -0.07     0.25   0.18  -0.02
     8   1     0.16   0.02  -0.12    -0.01  -0.10   0.20     0.05  -0.24  -0.06
     9   1    -0.24   0.28   0.06     0.12  -0.56   0.02     0.12   0.04   0.07
    10   1    -0.14  -0.04   0.28    -0.05  -0.04  -0.35     0.26  -0.18   0.22
    11   1     0.47  -0.01   0.04     0.16   0.03  -0.11    -0.25   0.15   0.14
    12   1     0.07  -0.29   0.08    -0.27   0.40  -0.08    -0.01  -0.33  -0.04
    13   1    -0.22   0.10   0.10    -0.14   0.01  -0.16    -0.40   0.01  -0.05
    14   1    -0.18   0.03  -0.22     0.03   0.15  -0.03     0.14   0.07  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    614.1270               737.6392               853.8998
 Red. masses --      3.5274                 6.8628                 1.5415
 Frc consts  --      0.7838                 2.2001                 0.6622
 IR Inten    --     20.9959                 9.5910                85.6708
 RamAct Fr= 1--      1.2098                 3.9863                 3.7385
  Dep-P Fr= 1--      0.2299                 0.0614                 0.1608
  Dep-U Fr= 1--      0.3739                 0.1157                 0.2771
 Alpha2 Fr= 1--      0.0152                 0.0766                 0.0562
 Beta2  Fr= 1--      0.0754                 0.0768                 0.1726
 AlphaG Fr= 1--      0.0132                 0.0185                -0.1186
 Gamma2 Fr= 1--      0.5776                -0.0533                -0.7712
 Delta2 Fr= 1--      0.2960                 0.0510                -0.4220
 Raman1 Fr= 1--       4.839                 15.945                 14.954
 ROA1   Fr= 1--      64.920                 -3.487                -87.536
 CID1   Fr= 1--      13.416                 -0.219                 -5.854
 Raman2 Fr= 1--       0.905                  0.922                  2.072
 ROA2   Fr= 1--      11.494                 -1.687                -15.133
 CID2   Fr= 1--      12.706                 -1.830                 -7.304
 Raman3 Fr= 1--       1.809                  1.844                  4.144
 ROA3   Fr= 1--      64.920                 -3.487                -87.536
 CID3   Fr= 1--      35.883                 -1.891                -21.126
 RC180  Fr= 1--      -0.252                 -0.769                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.10    -0.03   0.05  -0.07     0.04  -0.09   0.02
     2   6    -0.19  -0.03   0.04     0.10  -0.01  -0.07     0.02  -0.02  -0.09
     3   6    -0.06  -0.04   0.25     0.34   0.11   0.36    -0.01  -0.01   0.06
     4   8     0.03   0.13  -0.07     0.06  -0.25  -0.10    -0.03   0.02  -0.05
     5   8     0.08  -0.02   0.02    -0.08  -0.01   0.02    -0.02  -0.00   0.01
     6   7     0.01  -0.07  -0.01    -0.06  -0.13  -0.02    -0.03   0.12  -0.02
     7   8     0.12  -0.09  -0.10    -0.14   0.25  -0.08     0.00  -0.03  -0.00
     8   1    -0.63  -0.06  -0.02    -0.32  -0.11  -0.11    -0.06  -0.03  -0.09
     9   1    -0.09   0.28  -0.10    -0.18   0.23  -0.07    -0.01   0.05   0.02
    10   1    -0.02   0.10   0.05    -0.07  -0.00   0.10     0.10  -0.14   0.15
    11   1     0.28   0.02   0.00    -0.42  -0.00   0.10     0.16  -0.03   0.86
    12   1     0.03  -0.16  -0.00    -0.08  -0.22  -0.00     0.00  -0.14   0.01
    13   1     0.20  -0.28   0.04    -0.18   0.12   0.06     0.19   0.05   0.19
    14   1    -0.12  -0.18   0.16    -0.09  -0.02   0.01     0.11   0.11  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    860.7673               888.2992               965.1051
 Red. masses --      2.0260                 1.6960                 1.4519
 Frc consts  --      0.8844                 0.7885                 0.7968
 IR Inten    --     20.3436                71.5909                56.8199
 RamAct Fr= 1--      5.9295                 1.7210                 0.4368
  Dep-P Fr= 1--      0.0522                 0.4372                 0.6825
  Dep-U Fr= 1--      0.0991                 0.6084                 0.8113
 Alpha2 Fr= 1--      0.1165                 0.0111                 0.0005
 Beta2  Fr= 1--      0.0980                 0.1745                 0.0591
 AlphaG Fr= 1--      0.0893                 0.0238                 0.0050
 Gamma2 Fr= 1--     -0.2953                 0.3839                 0.4319
 Delta2 Fr= 1--     -0.2400                 0.2741                 0.2757
 Raman1 Fr= 1--      23.718                  6.884                  1.747
 ROA1   Fr= 1--     -36.026                 45.622                 50.283
 CID1   Fr= 1--      -1.519                  6.627                 28.781
 Raman2 Fr= 1--       1.176                  2.094                  0.709
 ROA2   Fr= 1--      -5.167                  7.020                  8.160
 CID2   Fr= 1--      -4.394                  3.352                 11.514
 Raman3 Fr= 1--       2.351                  4.188                  1.417
 ROA3   Fr= 1--     -36.026                 45.622                 50.283
 CID3   Fr= 1--     -15.321                 10.893                 35.475
 RC180  Fr= 1--      -0.802                  0.217                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07   0.01    -0.03   0.10  -0.01     0.01  -0.08  -0.06
     2   6    -0.12  -0.03   0.11     0.09   0.05   0.05    -0.09  -0.01   0.05
     3   6     0.04   0.04  -0.15    -0.02  -0.01  -0.00    -0.01   0.02  -0.07
     4   8     0.07  -0.07  -0.02    -0.04   0.02  -0.02     0.04  -0.04  -0.00
     5   8     0.05   0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01   0.02
     6   7    -0.06  -0.02  -0.02     0.07  -0.14  -0.05     0.06  -0.01   0.01
     7   8    -0.00   0.08   0.04     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1    -0.04  -0.07   0.12     0.19  -0.01   0.06    -0.34   0.23   0.01
     9   1     0.08  -0.15   0.01     0.00  -0.12  -0.01    -0.06   0.37  -0.07
    10   1    -0.07   0.13  -0.18    -0.16   0.19  -0.23     0.16  -0.25   0.36
    11   1    -0.02  -0.01   0.59     0.16  -0.05   0.59     0.04  -0.03   0.14
    12   1     0.22  -0.12  -0.08    -0.45   0.21   0.05    -0.33   0.48   0.06
    13   1     0.30  -0.53  -0.03    -0.22   0.28  -0.01    -0.18   0.13  -0.14
    14   1    -0.08  -0.10   0.08    -0.11  -0.08   0.07     0.03   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1048.8272              1090.8141              1112.7915
 Red. masses --      4.0101                 2.2742                 2.1750
 Frc consts  --      2.5991                 1.5943                 1.5869
 IR Inten    --    108.1381                28.2020                42.6417
 RamAct Fr= 1--      4.3836                 2.0326                 2.3039
  Dep-P Fr= 1--      0.3792                 0.3995                 0.7498
  Dep-U Fr= 1--      0.5499                 0.5709                 0.8570
 Alpha2 Fr= 1--      0.0349                 0.0151                 0.0000
 Beta2  Fr= 1--      0.4017                 0.1934                 0.3291
 AlphaG Fr= 1--      0.0426                -0.0219                -0.0000
 Gamma2 Fr= 1--     -0.2021                 0.8943                 0.1330
 Delta2 Fr= 1--      0.3222                 0.4279                -0.8130
 Raman1 Fr= 1--      17.534                  8.131                  9.216
 ROA1   Fr= 1--      -9.088                 99.551                -13.246
 CID1   Fr= 1--      -0.518                 12.244                 -1.437
 Raman2 Fr= 1--       4.821                  2.321                  3.949
 ROA2   Fr= 1--      -7.427                 18.041                  9.696
 CID2   Fr= 1--      -1.541                  7.773                  2.455
 Raman3 Fr= 1--       9.642                  4.642                  7.898
 ROA3   Fr= 1--      -9.088                 99.551                -13.246
 CID3   Fr= 1--      -0.943                 21.445                 -1.677
 RC180  Fr= 1--       0.100                  0.142                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.26  -0.13   0.20     0.19   0.08   0.07     0.05  -0.06   0.06
     2   6    -0.12   0.06  -0.09    -0.15   0.03  -0.05    -0.03   0.26  -0.01
     3   6    -0.06   0.04   0.06    -0.05   0.03  -0.03     0.03  -0.02   0.00
     4   8     0.07  -0.07  -0.02     0.05  -0.05  -0.00     0.01   0.02  -0.00
     5   8     0.23   0.09  -0.09    -0.10  -0.07   0.02    -0.01  -0.03   0.02
     6   7     0.07   0.00  -0.01     0.07   0.01  -0.01    -0.03  -0.13  -0.04
     7   8     0.00   0.03  -0.01     0.01   0.03   0.00    -0.02  -0.04   0.00
     8   1    -0.03  -0.25  -0.06    -0.40  -0.23  -0.07    -0.18   0.51  -0.04
     9   1    -0.12  -0.41   0.19     0.24  -0.36   0.09    -0.00  -0.03   0.06
    10   1    -0.22  -0.01  -0.13     0.27   0.17  -0.25    -0.19  -0.01   0.03
    11   1     0.11  -0.08  -0.05     0.06  -0.05  -0.07    -0.03   0.03   0.02
    12   1    -0.19  -0.18   0.06    -0.14  -0.26   0.05     0.08  -0.12  -0.08
    13   1    -0.18   0.47   0.12    -0.14   0.43   0.12     0.05  -0.33  -0.10
    14   1     0.20   0.07  -0.04     0.00   0.04  -0.02     0.45   0.37  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1188.4043              1214.3847              1238.3080
 Red. masses --      1.3754                 2.3294                 1.2882
 Frc consts  --      1.1444                 2.0240                 1.1638
 IR Inten    --      3.4605                13.8222                26.8324
 RamAct Fr= 1--      3.8267                 5.6161                 3.1169
  Dep-P Fr= 1--      0.6108                 0.2937                 0.6340
  Dep-U Fr= 1--      0.7584                 0.4540                 0.7760
 Alpha2 Fr= 1--      0.0098                 0.0587                 0.0066
 Beta2  Fr= 1--      0.4837                 0.4249                 0.4031
 AlphaG Fr= 1--     -0.0145                 0.0221                -0.0098
 Gamma2 Fr= 1--      1.5518                -0.7524                -0.2120
 Delta2 Fr= 1--      0.1862                -0.2520                -0.4002
 Raman1 Fr= 1--      15.307                 22.465                 12.468
 ROA1   Fr= 1--     154.934                -80.294                -33.160
 CID1   Fr= 1--      10.122                 -3.574                 -2.660
 Raman2 Fr= 1--       5.804                  5.099                  4.838
 ROA2   Fr= 1--      35.754                -16.041                 -1.886
 CID2   Fr= 1--       6.160                 -3.146                 -0.390
 Raman3 Fr= 1--      11.608                 10.199                  9.675
 ROA3   Fr= 1--     154.934                -80.294                -33.160
 CID3   Fr= 1--      13.347                 -7.873                 -3.427
 RC180  Fr= 1--       0.517                 -0.092                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.10    -0.03  -0.01   0.03    -0.01   0.07   0.00
     2   6    -0.04  -0.04  -0.09    -0.02   0.01   0.04     0.05  -0.11   0.01
     3   6     0.05  -0.02   0.04     0.25  -0.09  -0.10    -0.02   0.01  -0.03
     4   8    -0.01   0.02  -0.01    -0.06   0.12   0.02    -0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.04     0.02   0.02  -0.02     0.01  -0.04   0.01
     6   7     0.00  -0.00   0.05     0.01   0.01  -0.01     0.01   0.03   0.03
     7   8    -0.00  -0.00  -0.01    -0.04  -0.08   0.01     0.01   0.02   0.00
     8   1     0.10   0.33  -0.09    -0.55  -0.28  -0.02    -0.31  -0.13  -0.03
     9   1    -0.36  -0.27   0.07    -0.09  -0.06   0.02    -0.46   0.00  -0.04
    10   1     0.50   0.07  -0.19     0.04  -0.01  -0.01    -0.30   0.16  -0.14
    11   1    -0.07   0.05   0.05    -0.51   0.32   0.10     0.07  -0.04  -0.03
    12   1    -0.07   0.45   0.02    -0.05  -0.16   0.02    -0.02   0.14   0.02
    13   1     0.01  -0.28  -0.19    -0.11   0.26   0.06     0.01  -0.01  -0.01
    14   1    -0.07  -0.07   0.04    -0.06  -0.06   0.04     0.50   0.40  -0.27
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1272.6215              1316.5925              1403.1630
 Red. masses --      1.4807                 1.2357                 1.2749
 Frc consts  --      1.4129                 1.2620                 1.4789
 IR Inten    --      2.5531                12.5220                21.7728
 RamAct Fr= 1--      2.9068                 4.5142                 4.5395
  Dep-P Fr= 1--      0.4098                 0.6957                 0.6382
  Dep-U Fr= 1--      0.5813                 0.8206                 0.7791
 Alpha2 Fr= 1--      0.0208                 0.0043                 0.0092
 Beta2  Fr= 1--      0.2816                 0.6174                 0.5895
 AlphaG Fr= 1--      0.0271                -0.0096                 0.0110
 Gamma2 Fr= 1--     -0.1286                -0.4601                 1.0763
 Delta2 Fr= 1--     -1.1522                 0.3163                -0.4886
 Raman1 Fr= 1--      11.627                 18.057                 18.158
 ROA1   Fr= 1--     -49.211                -34.050                 87.688
 CID1   Fr= 1--      -4.232                 -1.886                  4.829
 Raman2 Fr= 1--       3.380                  7.408                  7.074
 ROA2   Fr= 1--       6.132                -13.574                 29.739
 CID2   Fr= 1--       1.814                 -1.832                  4.204
 Raman3 Fr= 1--       6.759                 14.817                 14.148
 ROA3   Fr= 1--     -49.211                -34.050                 87.688
 CID3   Fr= 1--      -7.280                 -2.298                  6.198
 RC180  Fr= 1--       0.163                  0.641                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.01   0.02  -0.06     0.02   0.01   0.01
     2   6    -0.14  -0.05  -0.08    -0.08   0.04   0.07    -0.03  -0.12   0.04
     3   6     0.07  -0.02   0.03     0.01  -0.00   0.02    -0.01   0.01   0.01
     4   8    -0.00   0.03  -0.01     0.02   0.00  -0.01     0.03   0.00  -0.00
     5   8    -0.00  -0.01   0.04     0.00  -0.04   0.00     0.00   0.01  -0.00
     6   7     0.03   0.01   0.05     0.01  -0.00  -0.03     0.02   0.02  -0.06
     7   8    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
     8   1     0.45  -0.14  -0.02     0.57  -0.23   0.16     0.10   0.79   0.03
     9   1     0.49   0.03   0.00    -0.44   0.14  -0.09    -0.07  -0.06   0.01
    10   1    -0.49   0.07  -0.02     0.40  -0.06   0.03    -0.22   0.04   0.01
    11   1    -0.19   0.12   0.06    -0.14   0.08   0.03    -0.26   0.15   0.03
    12   1    -0.12   0.27   0.05    -0.01  -0.21  -0.00     0.03  -0.27  -0.04
    13   1    -0.06  -0.08  -0.13    -0.04   0.15   0.06    -0.03   0.30   0.13
    14   1     0.20   0.17  -0.09     0.23   0.17  -0.12    -0.02  -0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1414.9043              1444.8754              1519.8430
 Red. masses --      1.6567                 1.4536                 1.0842
 Frc consts  --      1.9541                 1.7880                 1.4756
 IR Inten    --    394.6915                 2.0591                 2.7722
 RamAct Fr= 1--      3.0804                 0.3791                 4.5704
  Dep-P Fr= 1--      0.1637                 0.4953                 0.7355
  Dep-U Fr= 1--      0.2813                 0.6624                 0.8476
 Alpha2 Fr= 1--      0.0460                 0.0019                 0.0011
 Beta2  Fr= 1--      0.1444                 0.0419                 0.6456
 AlphaG Fr= 1--     -0.0381                 0.0056                -0.0031
 Gamma2 Fr= 1--      0.0821                 0.4802                 0.1780
 Delta2 Fr= 1--      0.1594                 0.1692                -0.1195
 Raman1 Fr= 1--      12.322                  1.516                 18.282
 ROA1   Fr= 1--      12.979                 51.517                 13.265
 CID1   Fr= 1--       1.053                 33.973                  0.726
 Raman2 Fr= 1--       1.733                  0.502                  7.748
 ROA2   Fr= 1--       0.695                 10.171                  5.229
 CID2   Fr= 1--       0.401                 20.251                  0.675
 Raman3 Fr= 1--       3.467                  1.005                 15.495
 ROA3   Fr= 1--      12.979                 51.517                 13.265
 CID3   Fr= 1--       3.744                 51.284                  0.856
 RC180  Fr= 1--      -0.437                  0.325                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.16   0.07  -0.03     0.02   0.06  -0.05
     2   6    -0.07  -0.03   0.03     0.05  -0.04   0.01     0.00   0.01  -0.00
     3   6     0.15  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   8    -0.12   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   8     0.01  -0.00   0.00    -0.00  -0.05   0.03     0.00   0.01  -0.00
     6   7     0.02   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
     7   8    -0.01   0.06   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.12   0.22   0.04    -0.10   0.17  -0.01     0.02  -0.06  -0.00
     9   1    -0.00  -0.02  -0.00     0.63  -0.13   0.03    -0.13  -0.67  -0.03
    10   1    -0.01  -0.00   0.02     0.56  -0.05   0.06    -0.13  -0.19   0.68
    11   1     0.79  -0.44  -0.15    -0.04   0.02   0.00    -0.00   0.00   0.00
    12   1    -0.01  -0.19  -0.00     0.02  -0.02  -0.01    -0.02   0.01   0.01
    13   1    -0.00   0.09   0.02    -0.00   0.06   0.04    -0.00  -0.04  -0.03
    14   1     0.03   0.02  -0.01     0.31   0.24  -0.16    -0.01  -0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.0515              1836.6731              2980.2718
 Red. masses --      1.0902                 9.7208                 1.0693
 Frc consts  --      1.7850                19.3203                 5.5959
 IR Inten    --     36.7159               312.4880                44.1429
 RamAct Fr= 1--      3.8929                14.4361               131.3101
  Dep-P Fr= 1--      0.6293                 0.2826                 0.1182
  Dep-U Fr= 1--      0.7725                 0.4407                 0.2115
 Alpha2 Fr= 1--      0.0085                 0.1559                 2.1980
 Beta2  Fr= 1--      0.5012                 1.0603                 4.6284
 AlphaG Fr= 1--      0.0040                 0.1417                -0.2460
 Gamma2 Fr= 1--     -0.0121                 0.5352                 1.9628
 Delta2 Fr= 1--     -0.1053                 0.1906                 2.1791
 Raman1 Fr= 1--      15.572                 57.744                525.240
 ROA1   Fr= 1--      -4.527                 57.480                258.158
 CID1   Fr= 1--      -0.291                  0.995                  0.492
 Raman2 Fr= 1--       6.014                 12.724                 55.541
 ROA2   Fr= 1--       0.552                 11.321                 29.674
 CID2   Fr= 1--       0.092                  0.890                  0.534
 Raman3 Fr= 1--      12.029                 25.447                111.082
 ROA3   Fr= 1--      -4.527                 57.480                258.158
 CID3   Fr= 1--      -0.376                  2.259                  2.324
 RC180  Fr= 1--       0.545                 -0.119                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.02  -0.01     0.00   0.01  -0.07
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01    -0.00  -0.00   0.01
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.02     0.00   0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.01    -0.00  -0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.00   0.02   0.00     0.02  -0.01  -0.12
     9   1    -0.00  -0.02  -0.00     0.04  -0.02  -0.02    -0.07   0.02   0.96
    10   1    -0.01  -0.00   0.02     0.06   0.02   0.01    -0.03  -0.19  -0.09
    11   1     0.02  -0.02  -0.02     0.47  -0.20  -0.09     0.00  -0.00  -0.00
    12   1     0.43   0.53  -0.17    -0.00   0.01   0.00     0.00   0.01   0.00
    13   1     0.22   0.31   0.59     0.02  -0.03   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.03   0.02  -0.01     0.01   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.3174              3076.2338              3447.4961
 Red. masses --      1.0819                 1.0941                 1.0641
 Frc consts  --      5.9115                 6.1003                 7.4515
 IR Inten    --      6.6796                19.6530               254.2070
 RamAct Fr= 1--     64.4516                72.6065                86.2108
  Dep-P Fr= 1--      0.2822                 0.2354                 0.0771
  Dep-U Fr= 1--      0.4401                 0.3811                 0.1432
 Alpha2 Fr= 1--      0.6968                 0.8962                 1.5957
 Beta2  Fr= 1--      4.7279                 4.6112                 2.0577
 AlphaG Fr= 1--     -0.0959                -0.6049                 0.0987
 Gamma2 Fr= 1--      1.3937                -4.5884                 0.8584
 Delta2 Fr= 1--      2.1133                -3.6474                 1.7897
 Raman1 Fr= 1--     257.806                290.426                344.843
 ROA1   Fr= 1--     201.423               -557.205                139.672
 CID1   Fr= 1--       0.781                 -1.919                  0.405
 Raman2 Fr= 1--      56.735                 55.335                 24.693
 ROA2   Fr= 1--      16.543                -80.942                  6.283
 CID2   Fr= 1--       0.292                 -1.463                  0.254
 Raman3 Fr= 1--     113.470                110.670                 49.386
 ROA3   Fr= 1--     201.423               -557.205                139.672
 CID3   Fr= 1--       1.775                 -5.035                  2.828
 RC180  Fr= 1--      -0.120                 -0.238                 -0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00    -0.01  -0.07  -0.04     0.00  -0.00   0.00
     2   6     0.01  -0.00  -0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.12   0.03   0.96    -0.02   0.00   0.18    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.08    -0.01  -0.01   0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.19  -0.07     0.11   0.90   0.31     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.89  -0.04
    12   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.03   0.01   0.11
    13   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.05
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3489.5718              3575.2885              3819.9422
 Red. masses --      1.0535                 1.0893                 1.0666
 Frc consts  --      7.5587                 8.2039                 9.1698
 IR Inten    --      0.6421                11.0645                41.5137
 RamAct Fr= 1--     85.2955                62.8328               134.8110
  Dep-P Fr= 1--      0.0929                 0.4969                 0.2295
  Dep-U Fr= 1--      0.1700                 0.6639                 0.3733
 Alpha2 Fr= 1--      1.5195                 0.3148                 1.6910
 Beta2  Fr= 1--      2.4167                 6.9522                 8.3882
 AlphaG Fr= 1--     -0.1459                 0.1376                -0.0144
 Gamma2 Fr= 1--     -2.3877                 2.2355                -0.9426
 Delta2 Fr= 1--     -0.9590                -0.5429                 0.1263
 Raman1 Fr= 1--     341.182                251.331                539.244
 ROA1   Fr= 1--    -259.909                197.232                -86.443
 CID1   Fr= 1--      -0.762                  0.785                 -0.160
 Raman2 Fr= 1--      29.000                 83.426                100.658
 ROA2   Fr= 1--     -49.633                 57.995                -23.632
 CID2   Fr= 1--      -1.711                  0.695                 -0.235
 Raman3 Fr= 1--      58.000                166.852                201.316
 ROA3   Fr= 1--    -259.909                197.232                -86.443
 CID3   Fr= 1--      -4.481                  1.182                 -0.429
 RC180  Fr= 1--      -0.660                  0.328                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04  -0.02
     6   7    -0.03  -0.02  -0.04    -0.03  -0.03   0.06     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1    -0.06  -0.12   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    12   1     0.20   0.07   0.86    -0.13  -0.04  -0.42    -0.00   0.00  -0.00
    13   1     0.29   0.22  -0.26     0.62   0.43  -0.48     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.73  -0.61   0.31

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   388.76435 972.127941302.98985
           X            0.99962  -0.02684   0.00649
           Y            0.02687   0.99963  -0.00380
           Z           -0.00639   0.00397   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22279     0.08910     0.06647
 Rotational constants (GHZ):           4.64225     1.85649     1.38508
 Zero-point vibrational energy     297188.5 (Joules/Mol)
                                   71.02976 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     98.19   168.30   288.12   351.38   409.78
          (Kelvin)            462.62   534.81   616.06   758.07   883.59
                             1061.30  1228.57  1238.45  1278.06  1388.57
                             1509.03  1569.44  1601.06  1709.85  1747.23
                             1781.65  1831.02  1894.28  2018.84  2035.73
                             2078.85  2186.72  2398.52  2642.56  4287.95
                             4381.53  4426.01  4960.18  5020.72  5144.04
                             5496.04
 
 Zero-point correction=                           0.113193 (Hartree/Particle)
 Thermal correction to Energy=                    0.120895
 Thermal correction to Enthalpy=                  0.121839
 Thermal correction to Gibbs Free Energy=         0.081041
 Sum of electronic and zero-point Energies=           -399.039687
 Sum of electronic and thermal Energies=              -399.031985
 Sum of electronic and thermal Enthalpies=            -399.031040
 Sum of electronic and thermal Free Energies=         -399.071838
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.863             26.963             85.867
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.690
 Vibrational             74.085             21.001             18.313
 Vibration     1          0.598              1.969              4.203
 Vibration     2          0.608              1.935              3.150
 Vibration     3          0.638              1.840              2.131
 Vibration     4          0.660              1.772              1.772
 Vibration     5          0.683              1.702              1.505
 Vibration     6          0.707              1.632              1.302
 Vibration     7          0.743              1.530              1.073
 Vibration     8          0.790              1.409              0.865
 Vibration     9          0.882              1.190              0.594
 Vibration    10          0.974              1.002              0.426
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.529199D-37        -37.276381        -85.832039
 Total V=0       0.614892D+15         14.788799         34.052468
 Vib (Bot)       0.497847D-50        -50.302904       -115.826717
 Vib (Bot)    1  0.302264D+01          0.480387          1.106132
 Vib (Bot)    2  0.174828D+01          0.242610          0.558631
 Vib (Bot)    3  0.995605D+00         -0.001913         -0.004404
 Vib (Bot)    4  0.801323D+00         -0.096193         -0.221492
 Vib (Bot)    5  0.673315D+00         -0.171782         -0.395542
 Vib (Bot)    6  0.584095D+00         -0.233516         -0.537691
 Vib (Bot)    7  0.489209D+00         -0.310506         -0.714966
 Vib (Bot)    8  0.407503D+00         -0.389869         -0.897706
 Vib (Bot)    9  0.304419D+00         -0.516529         -1.189352
 Vib (Bot)   10  0.239602D+00         -0.620510         -1.428776
 Vib (V=0)       0.578464D+02          1.762276          4.057791
 Vib (V=0)    1  0.356372D+01          0.551904          1.270805
 Vib (V=0)    2  0.231837D+01          0.365183          0.840865
 Vib (V=0)    3  0.161411D+01          0.207932          0.478781
 Vib (V=0)    4  0.144452D+01          0.159724          0.367777
 Vib (V=0)    5  0.133866D+01          0.126671          0.291670
 Vib (V=0)    6  0.126887D+01          0.103419          0.238130
 Vib (V=0)    7  0.119952D+01          0.079007          0.181920
 Vib (V=0)    8  0.114503D+01          0.058815          0.135428
 Vib (V=0)    9  0.108538D+01          0.035582          0.081931
 Vib (V=0)   10  0.105444D+01          0.023024          0.053014
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.251201D+06          5.400021         12.434008
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        3 3 3           33 2                                     1     1    1 111  11111 11 1                                  
     8        5 4 4           00 9                                     8     6    5 444  32221 10 0 9 888   7   6  5  4 3 322 2  1   
     2        7 9 4           74 8                                     3     6    2 410  17318 19 4 6 865   3   1  2  2 7 284 0  16  
     0        5 0 7           65 0                                     7     7    0 553  73848 31 9 5 814   8   4  7  8 2 254 0  78  
 
     X        X X X           XX X                                     X     X    X XXX  XXXXX XX X X XXX   X   X  X  X X XXX X  XX  
     X            X              X                                     X     X       X         X  X X X X                   X        
                  X                                                    X             X            X X X X                   X        
                  X                                                    X             X            X   X X                   X        
                  X                                                    X             X            X                         X        
                  X                                                    X             X                                      X        
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000020648    0.000002176    0.000006413
      2        6          -0.000017274    0.000010208   -0.000002417
      3        6           0.000024474    0.000008749   -0.000000153
      4        8           0.000004918    0.000014862   -0.000000745
      5        8          -0.000019927   -0.000006786   -0.000004611
      6        7          -0.000002180   -0.000005458   -0.000009011
      7        8          -0.000005130   -0.000011841    0.000001402
      8        1          -0.000000218    0.000000379    0.000000097
      9        1          -0.000000365   -0.000001680    0.000000984
     10        1           0.000000872    0.000000190   -0.000001714
     11        1          -0.000010690   -0.000012380    0.000001031
     12        1           0.000002003    0.000000976    0.000002479
     13        1           0.000003500   -0.000000120    0.000001222
     14        1          -0.000000632    0.000000725    0.000005021
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024474 RMS     0.000008278
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.671344D+02 -0.288790D+00 -0.670972D+00
      2  -0.288790D+00  0.650574D+02 -0.202175D+00
      3  -0.670972D+00 -0.202175D+00  0.481870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.670325D+00 -0.170419D+01 -0.114615D+01
      2   0.254762D+01 -0.947371D+00  0.109139D+02
      3   0.612159D+01  0.594777D+01  0.209999D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.298633D+02 -0.377681D+01 -0.133826D+01
      2  -0.192805D+02  0.153588D+01 -0.222569D+01
      3  -0.105828D+02  0.224093D+01  0.356395D+01
      4   0.436439D+00 -0.807545D+01 -0.375614D+01
      5   0.354286D+01 -0.572680D+01  0.250150D+02
      6  -0.215337D+01  0.227370D+01  0.594291D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.874106D+00 -0.201947D+01  0.892858D+00 -0.294391D+01  0.120274D+01
      2  -0.201947D+01  0.237135D+01 -0.343029D+00  0.120274D+01  0.437674D+01
      3   0.892858D+00 -0.343029D+00  0.140844D+01  0.374725D-01  0.167309D+01
                 6             7             8             9            10 
      1   0.374725D-01  0.171479D+01 -0.199601D+00  0.126455D+01  0.133327D+01
      2   0.167309D+01 -0.199601D+00  0.195518D+01  0.914628D+00  0.288934D+01
      3   0.611213D+00  0.126455D+01  0.914628D+00 -0.802203D+01 -0.543789D+00
                11            12            13            14            15 
      1   0.288934D+01 -0.543789D+00  0.223524D+01 -0.154729D+00 -0.728489D-02
      2  -0.193920D+01  0.546647D+00 -0.154729D+00 -0.341377D+01 -0.771454D+00
      3   0.546647D+00 -0.510167D+00 -0.728489D-02 -0.771454D+00  0.342862D+00
                16            17            18            19            20 
      1  -0.386650D+00  0.108687D+01 -0.707865D+00 -0.201948D+01 -0.215213D+01
      2   0.108687D+01 -0.109075D+01 -0.133261D+00 -0.215213D+01  0.215689D+01
      3  -0.707865D+00 -0.133261D+00  0.744314D+01 -0.166713D+00  0.105415D-01
                21            22            23            24            25 
      1  -0.166713D+00 -0.132172D+00  0.288916D+01  0.474516D-01  0.122105D-01
      2   0.105415D-01  0.288916D+01  0.653127D+01 -0.104707D+00  0.137923D+00
      3  -0.283528D+00  0.474516D-01 -0.104707D+00  0.610795D+00 -0.209239D+00
                26            27            28            29            30 
      1   0.137923D+00 -0.209239D+00 -0.792959D+01  0.180980D+01  0.376295D+00
      2   0.367653D+00  0.306577D+00  0.180980D+01 -0.303772D+01 -0.246522D+00
      3   0.306577D+00 -0.502938D+00  0.376295D+00 -0.246522D+00 -0.977018D+00
                31            32            33            34            35 
      1  -0.207903D+01 -0.402387D+01 -0.812616D-01  0.981539D+00 -0.193875D+00
      2  -0.402387D+01 -0.950609D+00  0.195840D+00 -0.193875D+00  0.184635D+00
      3  -0.812616D-01  0.195840D+00  0.542343D+00 -0.175129D+01  0.125484D+01
                36            37            38            39            40 
      1  -0.175129D+01  0.785748D+00  0.294866D+01 -0.157485D+01  0.643739D+01
      2   0.125484D+01  0.294866D+01 -0.111370D+01  0.598192D+00 -0.901415D+00
      3   0.705710D+00 -0.157485D+01  0.598192D+00 -0.546832D+00  0.640924D+00
                41            42            43            44            45 
      1  -0.901415D+00  0.640924D+00 -0.381416D+01  0.828069D+00  0.818545D+00
      2   0.248274D+01 -0.105605D+01  0.828069D+00 -0.105634D+01  0.512590D+00
      3  -0.105605D+01  0.498825D+00  0.818545D+00  0.512590D+00 -0.711632D+00
                46            47            48            49            50 
      1  -0.255796D+01 -0.239936D+01  0.103192D+01 -0.142504D+01 -0.171150D+01
      2  -0.239936D+01 -0.192841D+01  0.923896D-01 -0.171150D+01  0.444535D+01
      3   0.103192D+01  0.923896D-01 -0.200014D+01  0.351275D+00  0.699642D+00
                51            52            53            54            55 
      1   0.351275D+00  0.138640D+01  0.352181D+00 -0.205492D+01 -0.216290D+01
      2   0.699642D+00  0.352181D+00  0.705657D+00 -0.102194D+01 -0.312905D+01
      3  -0.742465D+00 -0.205492D+01 -0.102194D+01 -0.442780D+01 -0.633298D-02
                56            57            58            59            60 
      1  -0.312905D+01 -0.633298D-02 -0.442922D+01 -0.289395D+01  0.715085D-02
      2  -0.298392D+01 -0.171441D+00 -0.289395D+01 -0.131748D+02  0.562679D-01
      3  -0.171441D+00 -0.409364D+00  0.715085D-02  0.562679D-01 -0.250022D+01
                61            62            63            64            65 
      1  -0.134010D+00  0.226279D-01 -0.104606D+01  0.490178D+00 -0.511176D+00
      2   0.226279D-01  0.190945D+00 -0.317569D+01 -0.511176D+00  0.510127D+00
      3  -0.104606D+01 -0.317569D+01  0.131248D+00 -0.105426D+01 -0.677458D-01
                66            67            68            69            70 
      1  -0.105426D+01 -0.832494D+00  0.389332D+00  0.820323D-01 -0.207328D+01
      2  -0.677458D-01  0.389332D+00  0.627294D+00 -0.105191D+01 -0.213333D+00
      3   0.100597D+01  0.820323D-01 -0.105191D+01 -0.239787D+00  0.710078D+00
                71            72            73            74            75 
      1  -0.213333D+00  0.710078D+00 -0.442899D+00  0.203866D+00  0.116105D+01
      2  -0.153906D+01  0.263982D+00  0.203866D+00 -0.341180D+00  0.130690D+00
      3   0.263982D+00 -0.869482D+01  0.116105D+01  0.130690D+00 -0.939404D+00
                76            77            78            79            80 
      1   0.598191D+00 -0.221054D+00 -0.391641D-02  0.211089D+01 -0.220177D+00
      2  -0.221054D+00 -0.810716D+00  0.102846D+01 -0.220177D+00  0.128857D+01
      3  -0.391641D-02  0.102846D+01  0.160490D+00 -0.402018D+00 -0.116247D+01
                81            82            83            84            85 
      1  -0.402018D+00 -0.875223D+00 -0.818939D+00 -0.580596D+00 -0.146579D+01
      2  -0.116247D+01 -0.818939D+00 -0.371110D+00  0.231862D-01 -0.463675D-01
      3   0.889259D+01 -0.580596D+00  0.231862D-01 -0.729262D-01 -0.833972D-01
                86            87            88            89            90 
      1  -0.463675D-01 -0.833972D-01 -0.118150D+01  0.824334D-01 -0.190365D+00
      2  -0.821999D+01 -0.117401D+01  0.824334D-01 -0.186598D+01 -0.143256D+01
      3  -0.117401D+01 -0.122570D+01 -0.190365D+00 -0.143256D+01 -0.107573D+00
                91            92            93            94            95 
      1   0.222610D+01  0.198129D+01 -0.123479D+00  0.512071D+01  0.103443D+00
      2   0.198129D+01  0.717724D+00  0.123025D+00  0.103443D+00  0.518588D+01
      3  -0.123479D+00  0.123025D+00 -0.338113D+00 -0.795115D-01  0.111835D+00
                96            97            98            99           100 
      1  -0.795115D-01 -0.320852D+00 -0.830241D-01 -0.653338D+00  0.220958D+00
      2   0.111835D+00 -0.830241D-01 -0.122824D+00  0.643344D+00  0.866282D+00
      3   0.900391D+00 -0.653338D+00  0.643344D+00  0.324687D-01  0.799688D+00
               101           102           103           104           105 
      1   0.866282D+00  0.799688D+00  0.598736D+00  0.322764D+00  0.425488D+00
      2   0.544835D+00  0.652498D+00  0.322764D+00  0.119072D+01  0.814962D+00
      3   0.652498D+00  0.111173D+01  0.425488D+00  0.814962D+00  0.681831D+00
               106           107           108           109           110 
      1   0.167445D+01  0.498607D+00  0.156566D+01  0.343207D+01  0.282406D+01
      2   0.498607D+00  0.246763D+01  0.209889D+01  0.282406D+01  0.347589D+01
      3   0.156566D+01  0.209889D+01  0.635801D+01 -0.117553D+01 -0.905335D+00
               111           112           113           114           115 
      1  -0.117553D+01  0.296183D+01  0.241519D+01 -0.778850D+00 -0.233925D+01
      2  -0.905335D+00  0.241519D+01  0.367758D+01 -0.973745D+00 -0.134118D+01
      3   0.132015D+01 -0.778850D+00 -0.973745D+00  0.107365D+01  0.135423D+01
               116           117           118           119           120 
      1  -0.134118D+01  0.135423D+01  0.837383D+01 -0.249317D+01  0.963737D+00
      2  -0.214026D+01  0.142652D+01 -0.249317D+01  0.193841D+01 -0.443096D+00
      3   0.142652D+01 -0.144478D+01  0.963737D+00 -0.443096D+00  0.123121D+01
               121           122           123           124           125 
      1  -0.464444D+01  0.263027D+01 -0.557572D+00  0.236943D+01 -0.757527D+00
      2   0.263027D+01 -0.194770D+01  0.551782D+00 -0.757527D+00  0.654950D+00
      3  -0.557572D+00  0.551782D+00 -0.714225D+00  0.130204D+01 -0.495443D+00
               126 
      1   0.130204D+01
      2  -0.495443D+00
      3   0.348394D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.129235D+01  0.389280D+00  0.249201D+01 -0.884155D+00  0.758586D+01
      2   0.235582D+01 -0.115440D+01 -0.827394D-01 -0.118035D+00  0.686510D+00
      3   0.286928D+01  0.139125D+01  0.240116D+00  0.663122D+01 -0.677864D+01
                 6             7             8             9            10 
      1  -0.102001D+01  0.190019D+01  0.290348D+01 -0.692300D+01 -0.131949D+01
      2  -0.576365D+00 -0.161968D+01  0.996841D+00 -0.558597D+01  0.145928D+01
      3  -0.210149D+01 -0.249771D+01 -0.255086D+01 -0.251272D+01  0.137211D+01
                11            12            13            14            15 
      1   0.788005D+00 -0.659442D+00  0.100427D+01  0.303023D+00 -0.447062D+00
      2  -0.776414D+00  0.342660D+01  0.225369D+01 -0.197429D+01  0.949207D+00
      3  -0.517916D+01  0.533814D+00 -0.916857D+00  0.742742D+00  0.589584D+00
                16            17            18            19            20 
      1  -0.125527D+01  0.471229D+01  0.164479D+00  0.817878D+00  0.776969D+00
      2  -0.295742D+01  0.349809D+00  0.913112D+00 -0.447809D+01  0.139216D+00
      3  -0.847914D+00  0.112912D+01  0.651679D+00 -0.689791D+01  0.795622D+00
                21            22            23            24            25 
      1   0.322110D+00  0.194700D+01  0.785550D-01  0.970507D+01 -0.454785D+00
      2  -0.603129D+01 -0.620546D+00  0.174777D+01 -0.190206D+01 -0.182921D+02
      3  -0.158469D+00 -0.863767D+00  0.102389D+02 -0.174764D+01  0.260935D+01
                26            27            28            29            30 
      1   0.995717D+01 -0.931717D-02 -0.864695D+00 -0.642159D+00  0.293333D+01
      2  -0.131961D+01  0.322011D+01  0.492106D+00  0.296001D+00  0.796701D+01
      3  -0.225951D+01  0.107943D+01 -0.565219D+01 -0.158663D+02 -0.561490D-01
                31            32            33            34            35 
      1  -0.225672D+00 -0.656379D+00 -0.406327D+01  0.849740D+00  0.208949D+01
      2   0.985519D+00 -0.230625D+00 -0.951184D+00  0.528208D+01 -0.111581D+01
      3  -0.119276D+02 -0.104241D+02  0.148640D+00 -0.242539D-01  0.192900D+01
                36            37            38            39            40 
      1  -0.514158D+00 -0.575686D+00 -0.658216D+00 -0.177855D+01  0.105360D+01
      2  -0.212400D+01 -0.694952D+01  0.198438D+01  0.440951D+01  0.246093D+01
      3   0.179313D+01 -0.134416D+02 -0.303931D+01 -0.106364D+01  0.511215D+01
                41            42            43            44            45 
      1  -0.797609D+00 -0.175232D+01 -0.182064D-01  0.316443D+01 -0.223117D+00
      2  -0.234856D+01  0.389546D+01 -0.406870D+01  0.188282D+01 -0.387986D+01
      3  -0.973299D+01  0.206891D+01 -0.102472D+01  0.386370D+01 -0.197373D+01
                46            47            48            49            50 
      1  -0.260283D+01 -0.120239D+01  0.508549D+01 -0.240438D+01 -0.380953D+01
      2  -0.719959D-02  0.175848D+01  0.372336D+01  0.502954D+00  0.523918D+00
      3  -0.564528D+01 -0.119000D+02  0.163402D+01  0.151765D+01 -0.196111D+01
                51            52            53            54            55 
      1  -0.289007D+01  0.570497D+01  0.709407D+01  0.832968D+01  0.205220D+00
      2  -0.739443D+00 -0.350475D+01 -0.742838D+00  0.336264D+00  0.186197D+00
      3   0.929122D+00  0.365264D+01  0.125032D+01 -0.477863D+01  0.379836D+00
                56            57            58            59            60 
      1   0.637623D-01 -0.316599D+01 -0.167385D+00  0.100448D+01 -0.114672D+02
      2   0.746504D-01  0.514263D+01 -0.119271D+01 -0.934383D+00  0.465176D+01
      3  -0.571405D+01 -0.161175D+00  0.107585D+02 -0.184605D+02  0.637683D+00
                61            62            63            64            65 
      1  -0.404147D+00  0.930285D+00  0.430360D+00  0.301036D+00 -0.824189D+00
      2   0.245452D+01  0.441463D+01 -0.117466D+01  0.794592D+00 -0.174244D+00
      3  -0.156900D+01  0.602169D+00 -0.455801D+01  0.236053D+00 -0.644761D+00
                66            67            68            69            70 
      1   0.110585D+00 -0.621568D+00 -0.666811D+00 -0.374698D+00  0.316886D+00
      2   0.678821D+00 -0.319683D+00  0.469723D+00 -0.406575D+00 -0.257597D+01
      3  -0.252943D+00  0.126982D+01 -0.268864D+00  0.223578D+00 -0.795437D-01
                71            72            73            74            75 
      1   0.282423D+01  0.104008D+01  0.113346D+01 -0.514440D+00 -0.374532D+00
      2  -0.115425D+00 -0.184341D+01  0.198781D+01  0.317385D+00 -0.575949D+00
      3   0.273079D+00  0.196598D+00  0.532165D+00 -0.797396D+00 -0.113085D+01
                76            77            78            79            80 
      1  -0.436148D+00  0.455760D+00 -0.411889D+00 -0.838938D+00  0.281446D+01
      2  -0.121548D+00  0.147472D+01 -0.878126D-01 -0.504124D+01 -0.954137D+00
      3   0.406338D+00  0.816291D+00 -0.988127D+00 -0.169678D+01 -0.105632D+01
                81            82            83            84            85 
      1   0.821114D+01 -0.110841D+01 -0.774555D-03 -0.368737D+00 -0.293013D+00
      2   0.927524D+01 -0.596391D+00  0.257913D+00  0.624856D+00 -0.345950D+00
      3   0.183407D+01  0.327304D+01  0.126731D+01  0.713648D+00  0.546518D+01
                86            87            88            89            90 
      1  -0.433353D+01 -0.419961D+01 -0.372372D+00 -0.143735D+01 -0.974330D+00
      2  -0.595920D+00 -0.922894D+00 -0.125338D+01 -0.110694D+01 -0.318153D+00
      3   0.957934D+01  0.175937D+01  0.203232D+01  0.210100D+01  0.182885D+01
                91            92            93            94            95 
      1   0.681997D+00  0.413659D+00  0.856378D+00  0.305104D+00  0.834315D+00
      2  -0.614579D+00 -0.607654D+00 -0.151308D+01 -0.470658D+00 -0.710981D+00
      3   0.848972D+01  0.992749D+01 -0.130426D-01  0.134863D+02  0.169754D+02
                96            97            98            99           100 
      1  -0.120708D+01  0.101405D+01  0.976131D+00  0.289965D+00 -0.132601D+01
      2  -0.231634D+01 -0.213764D+01 -0.180937D+01  0.739157D-01 -0.489535D+00
      3   0.483742D+00 -0.532364D+00 -0.907744D+00 -0.149927D+00  0.546343D+00
               101           102           103           104           105 
      1  -0.675107D+00 -0.283899D+01 -0.399263D+00 -0.188902D+01 -0.211203D+01
      2   0.995979D-01  0.422796D+00  0.120241D+00 -0.113256D+00  0.358900D+00
      3   0.980301D+00  0.975246D+00  0.183439D+01  0.451806D+00  0.576358D+00
               106           107           108           109           110 
      1  -0.413875D+01 -0.193775D+01 -0.130343D+02  0.266152D+01  0.209730D+01
      2  -0.221263D+01  0.606305D+00  0.731210D+00  0.709291D+00 -0.289993D+00
      3   0.337514D+01  0.932887D-02  0.321771D+01  0.770307D+01  0.345404D+01
               111           112           113           114           115 
      1  -0.369924D+01  0.189724D+01  0.195421D+01 -0.248758D+01 -0.299984D+01
      2   0.108810D+01 -0.103689D+00  0.188984D-01  0.880344D+00 -0.699076D+00
      3  -0.243205D+01  0.668025D+01  0.304492D+01 -0.144739D+01 -0.557438D+01
               116           117           118           119           120 
      1  -0.185344D+01  0.267847D+01  0.703657D+00 -0.116945D-01  0.108558D+01
      2   0.403220D+00 -0.772065D+00  0.481460D+01 -0.202573D+01  0.481268D+01
      3  -0.191436D+01  0.239848D+01  0.638000D+01 -0.720425D+01  0.127291D+01
               121           122           123           124           125 
      1  -0.440024D+00  0.374916D-01 -0.136557D+01  0.551838D+00  0.291703D+00
      2  -0.303051D+01  0.198648D+01 -0.283300D+01  0.305881D+01 -0.134507D+01
      3  -0.588641D+01  0.563242D+01 -0.146785D+01  0.217721D+01 -0.246893D+01
               126 
      1   0.432626D+00
      2   0.148378D+01
      3   0.973061D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.175396D+02  0.172232D+00 -0.202695D+01 -0.824267D+01  0.134224D+02
      2   0.988049D+01 -0.319198D+01 -0.447368D+01  0.399261D+01 -0.189938D+02
      3   0.765910D+01  0.301975D+01  0.650063D+01  0.425005D+01  0.557140D+01
      4  -0.407201D+01  0.289243D+00 -0.187230D+01  0.711850D+01  0.670841D+01
      5   0.427853D+01 -0.211401D+01 -0.384749D+01  0.959148D+00  0.352110D+01
      6  -0.404631D+01  0.242289D+01 -0.296994D+01  0.849832D+00 -0.653810D+01
                 6             7             8             9            10 
      1   0.248582D+01  0.600790D+01  0.227173D+01  0.177845D+02 -0.512055D+00
      2  -0.605641D+01 -0.531341D+01 -0.487839D+01  0.221612D+01  0.412138D+01
      3   0.357059D+01 -0.694484D+00  0.260665D+01 -0.200006D+02 -0.360933D+01
      4   0.296889D+01 -0.400273D-01  0.517952D+01  0.963799D+00  0.348536D+00
      5  -0.955915D+00  0.400064D+01  0.220818D+01 -0.144510D+02 -0.306911D+00
      6   0.833258D+00 -0.144735D+01 -0.117170D+01  0.807163D+01  0.133592D+01
                11            12            13            14            15 
      1   0.945570D+00 -0.991483D+00  0.187951D+01  0.467987D+01  0.559148D+00
      2  -0.877282D-01  0.203947D-01 -0.472491D+00 -0.777349D+01 -0.899969D+00
      3  -0.857842D+00  0.971088D+00 -0.140702D+01  0.309363D+01  0.340821D+00
      4   0.295958D+01  0.434277D+00 -0.672056D+01 -0.153222D+00 -0.107725D+01
      5   0.819031D+00  0.919008D+00 -0.195668D+00 -0.643796D+00  0.100965D+01
      6  -0.197608D+01  0.166738D+00 -0.255339D+01 -0.247111D-01 -0.357054D+01
                16            17            18            19            20 
      1  -0.577579D+01  0.137486D+00  0.650682D+01 -0.574250D+01  0.109555D+02
      2   0.389377D+00 -0.324300D+01  0.106317D+02  0.615546D+00 -0.107636D+02
      3   0.538641D+01  0.310552D+01 -0.171385D+02  0.512695D+01 -0.191864D+00
      4  -0.232688D+01 -0.132261D+01  0.692845D+00  0.507887D+01 -0.139676D+02
      5  -0.114719D+01 -0.494703D+00  0.830017D+01 -0.603788D+00 -0.155426D+01
      6   0.266899D+00  0.149727D+01  0.147912D+01 -0.504148D+00  0.111547D+00
                21            22            23            24            25 
      1  -0.703115D+00 -0.511673D+00  0.621734D+01 -0.101325D+00  0.257253D+01
      2  -0.164376D+01 -0.421305D+01 -0.180626D+02  0.776222D+00 -0.233030D+01
      3   0.234687D+01  0.472472D+01  0.118453D+02 -0.674896D+00 -0.242230D+00
      4  -0.976797D+00 -0.242607D+02 -0.231387D+02  0.537908D+00 -0.402466D+00
      5  -0.732445D+01 -0.184121D+01 -0.305557D+00 -0.162037D+01  0.199017D+01
      6   0.146863D+01 -0.596778D+00 -0.135813D+01 -0.145527D+02 -0.203922D+00
                26            27            28            29            30 
      1  -0.245531D+01 -0.527571D+01  0.434939D+02 -0.834056D+01 -0.367239D+00
      2   0.155951D+01 -0.649489D+01 -0.264987D+02  0.171054D+01  0.948938D+00
      3   0.895799D+00  0.117706D+02 -0.169953D+02  0.663002D+01 -0.581699D+00
      4   0.299672D+01 -0.215262D+01 -0.212202D+02  0.190742D+02  0.101922D+01
      5  -0.155179D+01  0.315019D+01 -0.144622D+01  0.512723D+00  0.145683D+02
      6   0.379235D+01  0.457117D-01  0.606491D+00 -0.504562D+00 -0.496755D+01
                31            32            33            34            35 
      1   0.488727D+01  0.100471D+02 -0.755252D+00 -0.145579D+01  0.629462D+00
      2  -0.682613D+01 -0.330266D+01  0.226043D+00  0.183116D+01  0.175525D+00
      3   0.193886D+01 -0.674441D+01  0.529209D+00 -0.375371D+00 -0.804987D+00
      4   0.165032D+02 -0.460532D+01 -0.133465D+01  0.156758D+01 -0.163369D+01
      5  -0.792692D+00 -0.154252D+01 -0.343156D+01  0.139349D+02 -0.594628D+01
      6  -0.905145D+00  0.935654D+00  0.823759D+01 -0.206571D+01  0.556859D+01
                36            37            38            39            40 
      1   0.525477D+01  0.108342D+02  0.162325D+02 -0.678705D+01  0.337633D+02
      2  -0.763355D+01 -0.938441D+01 -0.684236D+01  0.661572D+01 -0.177078D+02
      3   0.237878D+01 -0.144980D+01 -0.939011D+01  0.171325D+00 -0.160556D+02
      4  -0.548981D+01  0.201621D+02  0.205446D+01  0.421889D+01 -0.476843D+01
      5  -0.387437D+01 -0.117921D+02  0.397647D+01  0.909994D+01  0.407665D+01
      6   0.113725D+01  0.254485D+01 -0.936587D+00  0.964939D+00 -0.985822D+00
                41            42            43            44            45 
      1  -0.682459D+01  0.328288D+01 -0.193453D+02  0.386761D+01 -0.292107D+00
      2   0.604128D+01  0.587486D-01  0.103769D+02 -0.167663D+01 -0.580570D+01
      3   0.783303D+00 -0.334162D+01  0.896841D+01 -0.219098D+01  0.609781D+01
      4   0.152160D+02 -0.576057D+01  0.717872D+01 -0.701370D+01  0.280629D+01
      5  -0.505662D+01  0.551671D+01  0.900726D+01  0.357247D+01 -0.739566D+01
      6   0.160805D+01  0.330536D+01 -0.520856D+00  0.320823D+01  0.119706D+01
                46            47            48            49            50 
      1   0.125132D+02  0.157464D+01  0.147045D+01  0.198406D+01 -0.169564D+02
      2  -0.127964D+02 -0.689241D+01  0.178977D+01 -0.589460D+01  0.254611D+02
      3   0.283193D+00  0.531777D+01 -0.326022D+01  0.391054D+01 -0.850468D+01
      4  -0.993615D+01 -0.617801D+01  0.323468D+01 -0.432443D+00 -0.554173D+01
      5   0.205083D+01  0.134169D+01  0.994514D+00  0.114998D+01  0.832135D+00
      6   0.484228D+01  0.290612D+01 -0.882843D+01  0.341229D+01  0.516358D+01
                51            52            53            54            55 
      1  -0.915445D+00 -0.969385D-01  0.713859D+00  0.160837D+01  0.107995D+02
      2   0.370961D+01  0.335006D+01  0.434360D+01 -0.208254D+00 -0.166725D+01
      3  -0.279417D+01 -0.325312D+01 -0.505746D+01 -0.140012D+01 -0.913221D+01
      4   0.185260D+01  0.481184D+01  0.258343D+01 -0.863725D+01  0.172304D+02
      5  -0.237129D+01  0.737691D+00 -0.326696D+01 -0.417819D+01  0.953465D+00
      6   0.278131D+01 -0.964722D+01 -0.248063D+01 -0.131201D+02  0.552835D+00
                56            57            58            59            60 
      1   0.449074D+01 -0.420039D+00  0.914589D+01 -0.217832D+02 -0.317308D+00
      2   0.358434D+01  0.546609D+00  0.273720D+01  0.423726D+02 -0.346337D+00
      3  -0.807507D+01 -0.126570D+00 -0.118831D+02 -0.205894D+02  0.663645D+00
      4   0.225443D+02  0.624295D+00  0.263143D+02  0.469719D+02  0.717312D+00
      5   0.887960D+00  0.792229D+01  0.113653D+01  0.141439D+01  0.912200D+01
      6   0.711823D+00  0.425646D+01  0.100878D+01  0.855269D+00  0.178514D+02
                61            62            63            64            65 
      1  -0.214350D+00  0.467718D+00 -0.375104D+01  0.733021D+00 -0.138918D+00
      2   0.659298D+00 -0.925872D+00  0.249406D+01 -0.378515D+01  0.665332D-01
      3  -0.444948D+00  0.458154D+00  0.125697D+01  0.305213D+01  0.723847D-01
      4  -0.208114D+00 -0.930611D+00  0.110088D+02 -0.444730D+00  0.135719D+01
      5   0.893576D+01  0.111306D+02 -0.488214D+00 -0.171883D+01 -0.334717D+00
      6   0.380461D+01  0.138669D+02 -0.198518D+00 -0.531277D+00  0.534645D+00
                66            67            68            69            70 
      1  -0.136793D+00  0.142140D+00 -0.387383D+01 -0.382581D-01  0.934188D+00
      2   0.147768D+01  0.681778D+00  0.359674D+00 -0.874129D+00  0.258745D+01
      3  -0.134089D+01 -0.823918D+00  0.351415D+01  0.912387D+00 -0.352163D+01
      4  -0.452661D+00  0.272705D+01 -0.153017D+00 -0.481810D+00  0.950636D+00
      5   0.662701D+01  0.157684D+00 -0.805208D+00 -0.510841D+00  0.495973D+01
      6   0.381443D+00 -0.564749D-01  0.188388D+00  0.664929D+01  0.202544D+00
                71            72            73            74            75 
      1   0.157614D+01 -0.174145D+02 -0.900980D+00  0.283611D+00  0.520194D+01
      2  -0.566380D+00 -0.159601D+02 -0.264761D+01 -0.139399D+00 -0.100347D+01
      3  -0.100976D+01  0.333746D+02  0.354859D+01 -0.144212D+00 -0.419847D+01
      4  -0.563368D+00 -0.266123D+00  0.662125D+00  0.773801D+00 -0.144785D+01
      5   0.366424D+00 -0.754010D+01  0.169846D+01 -0.274698D+00  0.422610D+01
      6   0.423459D+01 -0.303571D+01 -0.134509D+01 -0.102029D+01  0.814535D+00
                76            77            78            79            80 
      1   0.138658D+01 -0.535343D+01  0.151603D+01  0.726932D+01  0.290358D+01
      2  -0.749737D+00  0.277646D+01 -0.125214D+01 -0.216208D+01 -0.409254D+00
      3  -0.636847D+00  0.257697D+01 -0.263893D+00 -0.510724D+01 -0.249432D+01
      4   0.246728D+00 -0.128949D+01  0.249719D+01 -0.283057D+01  0.247756D+01
      5  -0.912391D-01  0.224645D+01  0.472959D+00  0.400100D+01 -0.304542D+01
      6  -0.828336D-02 -0.148720D+01  0.593559D+01  0.309842D+00  0.668568D+01
                81            82            83            84            85 
      1  -0.227942D+02 -0.112851D+01 -0.408100D+01 -0.172340D+01 -0.500955D+01
      2  -0.108621D+02  0.341867D+01  0.341716D+01  0.123590D+01  0.344977D+01
      3   0.336563D+02 -0.229017D+01  0.663841D+00  0.487507D+00  0.155978D+01
      4  -0.141571D+01 -0.991756D+00  0.346513D+01  0.113246D+01  0.492355D+01
      5   0.184903D+02 -0.109485D+01  0.373255D+00  0.983002D+00 -0.125653D+00
      6  -0.130460D+02  0.144349D+01  0.191797D+00  0.339435D+00  0.369327D+00
                86            87            88            89            90 
      1  -0.190377D+02 -0.251548D+01 -0.311800D+01 -0.377773D+01 -0.590728D+01
      2   0.319789D+02  0.497930D+01  0.238278D+01  0.570036D+01  0.337110D+01
      3  -0.129413D+02 -0.246382D+01  0.735220D+00 -0.192262D+01  0.253618D+01
      4  -0.173516D+02 -0.216741D+01  0.149303D+01 -0.430770D+01 -0.278547D+01
      5  -0.256802D+01 -0.239470D+01  0.541767D+00 -0.343395D+01 -0.592336D+00
      6   0.382869D+01  0.537460D+01  0.176588D+00  0.678038D+01  0.254683D+01
                91            92            93            94            95 
      1  -0.112221D+02 -0.308537D+01  0.378821D-01 -0.134480D+02 -0.686134D+01
      2   0.980935D+01  0.733925D+00  0.211026D+00  0.716855D+01  0.113224D+02
      3   0.141276D+01  0.235145D+01 -0.248908D+00  0.627949D+01 -0.446102D+01
      4  -0.750687D+00 -0.584605D+00 -0.288932D+00  0.850500D+01 -0.175062D+02
      5   0.743829D+00  0.471473D+00 -0.181872D+01  0.115068D+01  0.304783D+00
      6  -0.129285D+00  0.217793D-01 -0.165996D+01  0.601977D-01  0.355385D+00
                96            97            98            99           100 
      1   0.259636D+00  0.838076D+00  0.174338D+00 -0.115807D+01 -0.952108D+00
      2  -0.204981D+00 -0.569154D+00 -0.299910D+00  0.358099D+00  0.953802D+00
      3  -0.546541D-01 -0.268923D+00  0.125572D+00  0.799973D+00 -0.169384D-02
      4  -0.340982D+00 -0.403018D+00  0.215958D+00 -0.269820D+01  0.227359D+01
      5  -0.413460D+01  0.242951D+01 -0.239683D+01  0.919648D-01  0.224510D+01
      6   0.194936D+01 -0.184006D+01  0.294809D+01 -0.156215D+00  0.274823D+01
               101           102           103           104           105 
      1  -0.895192D+00 -0.583697D+00 -0.210045D+00 -0.322446D+01 -0.181229D+01
      2   0.162290D+01  0.199359D+00  0.575000D+00  0.379498D+01  0.258451D+01
      3  -0.727706D+00  0.384338D+00 -0.364956D+00 -0.570522D+00 -0.772224D+00
      4   0.425562D+01  0.305248D+01  0.369005D+01  0.251170D+01  0.220989D+01
      5   0.182375D+01  0.417565D+01  0.669826D+00  0.150129D+01  0.144973D+01
      6   0.269043D+01  0.504068D+01  0.215338D+01  0.359786D+01  0.601470D+01
               106           107           108           109           110 
      1  -0.161060D+00 -0.595258D+01 -0.966633D+01  0.825106D+00 -0.350609D+01
      2  -0.123538D+01  0.449795D+01 -0.303264D+01  0.624358D+01  0.108158D+02
      3   0.139644D+01  0.145463D+01  0.126990D+02 -0.706868D+01 -0.730975D+01
      4   0.469536D+01  0.448845D+01  0.584622D+01  0.140659D+02  0.150640D+02
      5   0.419269D+01  0.290022D+01  0.788915D+01 -0.381704D+01 -0.302345D+01
      6   0.604152D+01  0.985175D+01  0.224521D+02 -0.646065D+01 -0.564686D+01
               111           112           113           114           115 
      1  -0.700534D-01 -0.219091D+01 -0.593829D+01  0.148076D+01  0.112887D+01
      2  -0.258240D+01  0.776528D+01  0.138367D+02 -0.404664D+01 -0.311677D+01
      3   0.265246D+01 -0.557437D+01 -0.789842D+01  0.256588D+01  0.198790D+01
      4  -0.553912D+01  0.127945D+02  0.117657D+02 -0.412318D+01 -0.766344D+01
      5   0.400208D+01 -0.142255D+01 -0.263068D+01  0.172929D+01  0.415523D+01
      6   0.608055D+01 -0.458053D+01 -0.625290D+01  0.540855D+01  0.671836D+01
               116           117           118           119           120 
      1   0.348797D+01 -0.263690D+01  0.483115D+02 -0.149927D+02  0.620492D+01
      2  -0.582541D+01  0.246727D+01 -0.230196D+02  0.615879D+01 -0.289478D+01
      3   0.233744D+01  0.169626D+00 -0.252918D+02  0.883387D+01 -0.331015D+01
      4  -0.655463D+01  0.616604D+01 -0.226947D+02  0.139502D+02 -0.334082D+01
      5   0.343429D+01 -0.343161D+01  0.813854D+01 -0.310739D+01  0.765975D+01
      6   0.823034D+01 -0.658973D+01 -0.105735D+01  0.493342D+00 -0.108752D+01
               121           122           123           124           125 
      1  -0.233834D+02  0.121150D+02 -0.299413D+01  0.118637D+02 -0.390948D+01
      2   0.910853D+01 -0.306828D+01  0.107660D+01 -0.640261D+01  0.168268D+01
      3   0.142749D+02 -0.904668D+01  0.191753D+01 -0.546107D+01  0.222680D+01
      4   0.204936D+02 -0.137233D+02  0.383109D+01 -0.682265D+01  0.438466D+01
      5  -0.483149D+01  0.373225D+01 -0.388108D+01  0.939527D+01 -0.376503D+01
      6   0.116164D+01 -0.107401D+01  0.196931D+01 -0.208404D+01  0.204563D+01
               126 
      1   0.561709D+01
      2  -0.366573D+01
      3  -0.195136D+01
      4  -0.403879D+01
      5   0.335880D+01
      6  -0.985600D+00
 Leave Link  716 at Thu Aug 12 20:29:32 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.671344D+02 -0.288790D+00 -0.670972D+00
      2  -0.288790D+00  0.650574D+02 -0.202175D+00
      3  -0.670972D+00 -0.202175D+00  0.481870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.670325D+00 -0.170419D+01 -0.114615D+01
      2   0.254762D+01 -0.947371D+00  0.109139D+02
      3   0.612159D+01  0.594777D+01  0.209999D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.298633D+02 -0.377681D+01 -0.133826D+01
      2  -0.192805D+02  0.153588D+01 -0.222569D+01
      3  -0.105828D+02  0.224093D+01  0.356395D+01
      4   0.436439D+00 -0.807545D+01 -0.375614D+01
      5   0.354286D+01 -0.572680D+01  0.250150D+02
      6  -0.215337D+01  0.227370D+01  0.594291D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.874106D+00 -0.201947D+01  0.892858D+00 -0.294391D+01  0.120274D+01
      2  -0.201947D+01  0.237135D+01 -0.343029D+00  0.120274D+01  0.437674D+01
      3   0.892858D+00 -0.343029D+00  0.140844D+01  0.374725D-01  0.167309D+01
                 6             7             8             9            10 
      1   0.374725D-01  0.171479D+01 -0.199601D+00  0.126455D+01  0.133327D+01
      2   0.167309D+01 -0.199601D+00  0.195518D+01  0.914628D+00  0.288934D+01
      3   0.611213D+00  0.126455D+01  0.914628D+00 -0.802203D+01 -0.543789D+00
                11            12            13            14            15 
      1   0.288934D+01 -0.543789D+00  0.223524D+01 -0.154729D+00 -0.728489D-02
      2  -0.193920D+01  0.546647D+00 -0.154729D+00 -0.341377D+01 -0.771454D+00
      3   0.546647D+00 -0.510167D+00 -0.728489D-02 -0.771454D+00  0.342862D+00
                16            17            18            19            20 
      1  -0.386650D+00  0.108687D+01 -0.707865D+00 -0.201948D+01 -0.215213D+01
      2   0.108687D+01 -0.109075D+01 -0.133261D+00 -0.215213D+01  0.215689D+01
      3  -0.707865D+00 -0.133261D+00  0.744314D+01 -0.166713D+00  0.105415D-01
                21            22            23            24            25 
      1  -0.166713D+00 -0.132172D+00  0.288916D+01  0.474516D-01  0.122105D-01
      2   0.105415D-01  0.288916D+01  0.653127D+01 -0.104707D+00  0.137923D+00
      3  -0.283528D+00  0.474516D-01 -0.104707D+00  0.610795D+00 -0.209239D+00
                26            27            28            29            30 
      1   0.137923D+00 -0.209239D+00 -0.792959D+01  0.180980D+01  0.376295D+00
      2   0.367653D+00  0.306577D+00  0.180980D+01 -0.303772D+01 -0.246522D+00
      3   0.306577D+00 -0.502938D+00  0.376295D+00 -0.246522D+00 -0.977018D+00
                31            32            33            34            35 
      1  -0.207903D+01 -0.402387D+01 -0.812616D-01  0.981539D+00 -0.193875D+00
      2  -0.402387D+01 -0.950609D+00  0.195840D+00 -0.193875D+00  0.184635D+00
      3  -0.812616D-01  0.195840D+00  0.542343D+00 -0.175129D+01  0.125484D+01
                36            37            38            39            40 
      1  -0.175129D+01  0.785748D+00  0.294866D+01 -0.157485D+01  0.643739D+01
      2   0.125484D+01  0.294866D+01 -0.111370D+01  0.598192D+00 -0.901415D+00
      3   0.705710D+00 -0.157485D+01  0.598192D+00 -0.546832D+00  0.640924D+00
                41            42            43            44            45 
      1  -0.901415D+00  0.640924D+00 -0.381416D+01  0.828069D+00  0.818545D+00
      2   0.248274D+01 -0.105605D+01  0.828069D+00 -0.105634D+01  0.512590D+00
      3  -0.105605D+01  0.498825D+00  0.818545D+00  0.512590D+00 -0.711632D+00
                46            47            48            49            50 
      1  -0.255796D+01 -0.239936D+01  0.103192D+01 -0.142504D+01 -0.171150D+01
      2  -0.239936D+01 -0.192841D+01  0.923896D-01 -0.171150D+01  0.444535D+01
      3   0.103192D+01  0.923896D-01 -0.200014D+01  0.351275D+00  0.699642D+00
                51            52            53            54            55 
      1   0.351275D+00  0.138640D+01  0.352181D+00 -0.205492D+01 -0.216290D+01
      2   0.699642D+00  0.352181D+00  0.705657D+00 -0.102194D+01 -0.312905D+01
      3  -0.742465D+00 -0.205492D+01 -0.102194D+01 -0.442780D+01 -0.633298D-02
                56            57            58            59            60 
      1  -0.312905D+01 -0.633298D-02 -0.442922D+01 -0.289395D+01  0.715085D-02
      2  -0.298392D+01 -0.171441D+00 -0.289395D+01 -0.131748D+02  0.562679D-01
      3  -0.171441D+00 -0.409364D+00  0.715085D-02  0.562679D-01 -0.250022D+01
                61            62            63            64            65 
      1  -0.134010D+00  0.226279D-01 -0.104606D+01  0.490178D+00 -0.511176D+00
      2   0.226279D-01  0.190945D+00 -0.317569D+01 -0.511176D+00  0.510127D+00
      3  -0.104606D+01 -0.317569D+01  0.131248D+00 -0.105426D+01 -0.677458D-01
                66            67            68            69            70 
      1  -0.105426D+01 -0.832494D+00  0.389332D+00  0.820323D-01 -0.207328D+01
      2  -0.677458D-01  0.389332D+00  0.627294D+00 -0.105191D+01 -0.213333D+00
      3   0.100597D+01  0.820323D-01 -0.105191D+01 -0.239787D+00  0.710078D+00
                71            72            73            74            75 
      1  -0.213333D+00  0.710078D+00 -0.442899D+00  0.203866D+00  0.116105D+01
      2  -0.153906D+01  0.263982D+00  0.203866D+00 -0.341180D+00  0.130690D+00
      3   0.263982D+00 -0.869482D+01  0.116105D+01  0.130690D+00 -0.939404D+00
                76            77            78            79            80 
      1   0.598191D+00 -0.221054D+00 -0.391641D-02  0.211089D+01 -0.220177D+00
      2  -0.221054D+00 -0.810716D+00  0.102846D+01 -0.220177D+00  0.128857D+01
      3  -0.391641D-02  0.102846D+01  0.160490D+00 -0.402018D+00 -0.116247D+01
                81            82            83            84            85 
      1  -0.402018D+00 -0.875223D+00 -0.818939D+00 -0.580596D+00 -0.146579D+01
      2  -0.116247D+01 -0.818939D+00 -0.371110D+00  0.231862D-01 -0.463675D-01
      3   0.889259D+01 -0.580596D+00  0.231862D-01 -0.729262D-01 -0.833972D-01
                86            87            88            89            90 
      1  -0.463675D-01 -0.833972D-01 -0.118150D+01  0.824334D-01 -0.190365D+00
      2  -0.821999D+01 -0.117401D+01  0.824334D-01 -0.186598D+01 -0.143256D+01
      3  -0.117401D+01 -0.122570D+01 -0.190365D+00 -0.143256D+01 -0.107573D+00
                91            92            93            94            95 
      1   0.222610D+01  0.198129D+01 -0.123479D+00  0.512071D+01  0.103443D+00
      2   0.198129D+01  0.717724D+00  0.123025D+00  0.103443D+00  0.518588D+01
      3  -0.123479D+00  0.123025D+00 -0.338113D+00 -0.795115D-01  0.111835D+00
                96            97            98            99           100 
      1  -0.795115D-01 -0.320852D+00 -0.830241D-01 -0.653338D+00  0.220958D+00
      2   0.111835D+00 -0.830241D-01 -0.122824D+00  0.643344D+00  0.866282D+00
      3   0.900391D+00 -0.653338D+00  0.643344D+00  0.324687D-01  0.799688D+00
               101           102           103           104           105 
      1   0.866282D+00  0.799688D+00  0.598736D+00  0.322764D+00  0.425488D+00
      2   0.544835D+00  0.652498D+00  0.322764D+00  0.119072D+01  0.814962D+00
      3   0.652498D+00  0.111173D+01  0.425488D+00  0.814962D+00  0.681831D+00
               106           107           108           109           110 
      1   0.167445D+01  0.498607D+00  0.156566D+01  0.343207D+01  0.282406D+01
      2   0.498607D+00  0.246763D+01  0.209889D+01  0.282406D+01  0.347589D+01
      3   0.156566D+01  0.209889D+01  0.635801D+01 -0.117553D+01 -0.905335D+00
               111           112           113           114           115 
      1  -0.117553D+01  0.296183D+01  0.241519D+01 -0.778850D+00 -0.233925D+01
      2  -0.905335D+00  0.241519D+01  0.367758D+01 -0.973745D+00 -0.134118D+01
      3   0.132015D+01 -0.778850D+00 -0.973745D+00  0.107365D+01  0.135423D+01
               116           117           118           119           120 
      1  -0.134118D+01  0.135423D+01  0.837383D+01 -0.249317D+01  0.963737D+00
      2  -0.214026D+01  0.142652D+01 -0.249317D+01  0.193841D+01 -0.443096D+00
      3   0.142652D+01 -0.144478D+01  0.963737D+00 -0.443096D+00  0.123121D+01
               121           122           123           124           125 
      1  -0.464444D+01  0.263027D+01 -0.557572D+00  0.236943D+01 -0.757527D+00
      2   0.263027D+01 -0.194770D+01  0.551782D+00 -0.757527D+00  0.654950D+00
      3  -0.557572D+00  0.551782D+00 -0.714225D+00  0.130204D+01 -0.495443D+00
               126 
      1   0.130204D+01
      2  -0.495443D+00
      3   0.348394D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.129235D+01  0.389280D+00  0.249201D+01 -0.884155D+00  0.758586D+01
      2   0.235582D+01 -0.115440D+01 -0.827394D-01 -0.118035D+00  0.686510D+00
      3   0.286928D+01  0.139125D+01  0.240116D+00  0.663122D+01 -0.677864D+01
                 6             7             8             9            10 
      1  -0.102001D+01  0.190019D+01  0.290348D+01 -0.692300D+01 -0.131949D+01
      2  -0.576365D+00 -0.161968D+01  0.996841D+00 -0.558597D+01  0.145928D+01
      3  -0.210149D+01 -0.249771D+01 -0.255086D+01 -0.251272D+01  0.137211D+01
                11            12            13            14            15 
      1   0.788005D+00 -0.659442D+00  0.100427D+01  0.303023D+00 -0.447062D+00
      2  -0.776414D+00  0.342660D+01  0.225369D+01 -0.197429D+01  0.949207D+00
      3  -0.517916D+01  0.533814D+00 -0.916857D+00  0.742742D+00  0.589584D+00
                16            17            18            19            20 
      1  -0.125527D+01  0.471229D+01  0.164479D+00  0.817878D+00  0.776969D+00
      2  -0.295742D+01  0.349809D+00  0.913112D+00 -0.447809D+01  0.139216D+00
      3  -0.847914D+00  0.112912D+01  0.651679D+00 -0.689791D+01  0.795622D+00
                21            22            23            24            25 
      1   0.322110D+00  0.194700D+01  0.785550D-01  0.970507D+01 -0.454785D+00
      2  -0.603129D+01 -0.620546D+00  0.174777D+01 -0.190206D+01 -0.182921D+02
      3  -0.158469D+00 -0.863767D+00  0.102389D+02 -0.174764D+01  0.260935D+01
                26            27            28            29            30 
      1   0.995717D+01 -0.931717D-02 -0.864695D+00 -0.642159D+00  0.293333D+01
      2  -0.131961D+01  0.322011D+01  0.492106D+00  0.296001D+00  0.796701D+01
      3  -0.225951D+01  0.107943D+01 -0.565219D+01 -0.158663D+02 -0.561490D-01
                31            32            33            34            35 
      1  -0.225672D+00 -0.656379D+00 -0.406327D+01  0.849740D+00  0.208949D+01
      2   0.985519D+00 -0.230625D+00 -0.951184D+00  0.528208D+01 -0.111581D+01
      3  -0.119276D+02 -0.104241D+02  0.148640D+00 -0.242539D-01  0.192900D+01
                36            37            38            39            40 
      1  -0.514158D+00 -0.575686D+00 -0.658216D+00 -0.177855D+01  0.105360D+01
      2  -0.212400D+01 -0.694952D+01  0.198438D+01  0.440951D+01  0.246093D+01
      3   0.179313D+01 -0.134416D+02 -0.303931D+01 -0.106364D+01  0.511215D+01
                41            42            43            44            45 
      1  -0.797609D+00 -0.175232D+01 -0.182064D-01  0.316443D+01 -0.223117D+00
      2  -0.234856D+01  0.389546D+01 -0.406870D+01  0.188282D+01 -0.387986D+01
      3  -0.973299D+01  0.206891D+01 -0.102472D+01  0.386370D+01 -0.197373D+01
                46            47            48            49            50 
      1  -0.260283D+01 -0.120239D+01  0.508549D+01 -0.240438D+01 -0.380953D+01
      2  -0.719959D-02  0.175848D+01  0.372336D+01  0.502954D+00  0.523918D+00
      3  -0.564528D+01 -0.119000D+02  0.163402D+01  0.151765D+01 -0.196111D+01
                51            52            53            54            55 
      1  -0.289007D+01  0.570497D+01  0.709407D+01  0.832968D+01  0.205220D+00
      2  -0.739443D+00 -0.350475D+01 -0.742838D+00  0.336264D+00  0.186197D+00
      3   0.929122D+00  0.365264D+01  0.125032D+01 -0.477863D+01  0.379836D+00
                56            57            58            59            60 
      1   0.637623D-01 -0.316599D+01 -0.167385D+00  0.100448D+01 -0.114672D+02
      2   0.746504D-01  0.514263D+01 -0.119271D+01 -0.934383D+00  0.465176D+01
      3  -0.571405D+01 -0.161175D+00  0.107585D+02 -0.184605D+02  0.637683D+00
                61            62            63            64            65 
      1  -0.404147D+00  0.930285D+00  0.430360D+00  0.301036D+00 -0.824189D+00
      2   0.245452D+01  0.441463D+01 -0.117466D+01  0.794592D+00 -0.174244D+00
      3  -0.156900D+01  0.602169D+00 -0.455801D+01  0.236053D+00 -0.644761D+00
                66            67            68            69            70 
      1   0.110585D+00 -0.621568D+00 -0.666811D+00 -0.374698D+00  0.316886D+00
      2   0.678821D+00 -0.319683D+00  0.469723D+00 -0.406575D+00 -0.257597D+01
      3  -0.252943D+00  0.126982D+01 -0.268864D+00  0.223578D+00 -0.795437D-01
                71            72            73            74            75 
      1   0.282423D+01  0.104008D+01  0.113346D+01 -0.514440D+00 -0.374532D+00
      2  -0.115425D+00 -0.184341D+01  0.198781D+01  0.317385D+00 -0.575949D+00
      3   0.273079D+00  0.196598D+00  0.532165D+00 -0.797396D+00 -0.113085D+01
                76            77            78            79            80 
      1  -0.436148D+00  0.455760D+00 -0.411889D+00 -0.838938D+00  0.281446D+01
      2  -0.121548D+00  0.147472D+01 -0.878126D-01 -0.504124D+01 -0.954137D+00
      3   0.406338D+00  0.816291D+00 -0.988127D+00 -0.169678D+01 -0.105632D+01
                81            82            83            84            85 
      1   0.821114D+01 -0.110841D+01 -0.774555D-03 -0.368737D+00 -0.293013D+00
      2   0.927524D+01 -0.596391D+00  0.257913D+00  0.624856D+00 -0.345950D+00
      3   0.183407D+01  0.327304D+01  0.126731D+01  0.713648D+00  0.546518D+01
                86            87            88            89            90 
      1  -0.433353D+01 -0.419961D+01 -0.372372D+00 -0.143735D+01 -0.974330D+00
      2  -0.595920D+00 -0.922894D+00 -0.125338D+01 -0.110694D+01 -0.318153D+00
      3   0.957934D+01  0.175937D+01  0.203232D+01  0.210100D+01  0.182885D+01
                91            92            93            94            95 
      1   0.681997D+00  0.413659D+00  0.856378D+00  0.305104D+00  0.834315D+00
      2  -0.614579D+00 -0.607654D+00 -0.151308D+01 -0.470658D+00 -0.710981D+00
      3   0.848972D+01  0.992749D+01 -0.130426D-01  0.134863D+02  0.169754D+02
                96            97            98            99           100 
      1  -0.120708D+01  0.101405D+01  0.976131D+00  0.289965D+00 -0.132601D+01
      2  -0.231634D+01 -0.213764D+01 -0.180937D+01  0.739157D-01 -0.489535D+00
      3   0.483742D+00 -0.532364D+00 -0.907744D+00 -0.149927D+00  0.546343D+00
               101           102           103           104           105 
      1  -0.675107D+00 -0.283899D+01 -0.399263D+00 -0.188902D+01 -0.211203D+01
      2   0.995979D-01  0.422796D+00  0.120241D+00 -0.113256D+00  0.358900D+00
      3   0.980301D+00  0.975246D+00  0.183439D+01  0.451806D+00  0.576358D+00
               106           107           108           109           110 
      1  -0.413875D+01 -0.193775D+01 -0.130343D+02  0.266152D+01  0.209730D+01
      2  -0.221263D+01  0.606305D+00  0.731210D+00  0.709291D+00 -0.289993D+00
      3   0.337514D+01  0.932887D-02  0.321771D+01  0.770307D+01  0.345404D+01
               111           112           113           114           115 
      1  -0.369924D+01  0.189724D+01  0.195421D+01 -0.248758D+01 -0.299984D+01
      2   0.108810D+01 -0.103689D+00  0.188984D-01  0.880344D+00 -0.699076D+00
      3  -0.243205D+01  0.668025D+01  0.304492D+01 -0.144739D+01 -0.557438D+01
               116           117           118           119           120 
      1  -0.185344D+01  0.267847D+01  0.703657D+00 -0.116945D-01  0.108558D+01
      2   0.403220D+00 -0.772065D+00  0.481460D+01 -0.202573D+01  0.481268D+01
      3  -0.191436D+01  0.239848D+01  0.638000D+01 -0.720425D+01  0.127291D+01
               121           122           123           124           125 
      1  -0.440024D+00  0.374916D-01 -0.136557D+01  0.551838D+00  0.291703D+00
      2  -0.303051D+01  0.198648D+01 -0.283300D+01  0.305881D+01 -0.134507D+01
      3  -0.588641D+01  0.563242D+01 -0.146785D+01  0.217721D+01 -0.246893D+01
               126 
      1   0.432626D+00
      2   0.148378D+01
      3   0.973061D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.175396D+02  0.172232D+00 -0.202695D+01 -0.824267D+01  0.134224D+02
      2   0.988049D+01 -0.319198D+01 -0.447368D+01  0.399261D+01 -0.189938D+02
      3   0.765910D+01  0.301975D+01  0.650063D+01  0.425005D+01  0.557140D+01
      4  -0.407201D+01  0.289243D+00 -0.187230D+01  0.711850D+01  0.670841D+01
      5   0.427853D+01 -0.211401D+01 -0.384749D+01  0.959148D+00  0.352110D+01
      6  -0.404631D+01  0.242289D+01 -0.296994D+01  0.849832D+00 -0.653810D+01
                 6             7             8             9            10 
      1   0.248582D+01  0.600790D+01  0.227173D+01  0.177845D+02 -0.512055D+00
      2  -0.605641D+01 -0.531341D+01 -0.487839D+01  0.221612D+01  0.412138D+01
      3   0.357059D+01 -0.694484D+00  0.260665D+01 -0.200006D+02 -0.360933D+01
      4   0.296889D+01 -0.400273D-01  0.517952D+01  0.963799D+00  0.348536D+00
      5  -0.955915D+00  0.400064D+01  0.220818D+01 -0.144510D+02 -0.306911D+00
      6   0.833258D+00 -0.144735D+01 -0.117170D+01  0.807163D+01  0.133592D+01
                11            12            13            14            15 
      1   0.945570D+00 -0.991483D+00  0.187951D+01  0.467987D+01  0.559148D+00
      2  -0.877282D-01  0.203947D-01 -0.472491D+00 -0.777349D+01 -0.899969D+00
      3  -0.857842D+00  0.971088D+00 -0.140702D+01  0.309363D+01  0.340821D+00
      4   0.295958D+01  0.434277D+00 -0.672056D+01 -0.153222D+00 -0.107725D+01
      5   0.819031D+00  0.919008D+00 -0.195668D+00 -0.643796D+00  0.100965D+01
      6  -0.197608D+01  0.166738D+00 -0.255339D+01 -0.247111D-01 -0.357054D+01
                16            17            18            19            20 
      1  -0.577579D+01  0.137486D+00  0.650682D+01 -0.574250D+01  0.109555D+02
      2   0.389377D+00 -0.324300D+01  0.106317D+02  0.615546D+00 -0.107636D+02
      3   0.538641D+01  0.310552D+01 -0.171385D+02  0.512695D+01 -0.191864D+00
      4  -0.232688D+01 -0.132261D+01  0.692845D+00  0.507887D+01 -0.139676D+02
      5  -0.114719D+01 -0.494703D+00  0.830017D+01 -0.603788D+00 -0.155426D+01
      6   0.266899D+00  0.149727D+01  0.147912D+01 -0.504148D+00  0.111547D+00
                21            22            23            24            25 
      1  -0.703115D+00 -0.511673D+00  0.621734D+01 -0.101325D+00  0.257253D+01
      2  -0.164376D+01 -0.421305D+01 -0.180626D+02  0.776222D+00 -0.233030D+01
      3   0.234687D+01  0.472472D+01  0.118453D+02 -0.674896D+00 -0.242230D+00
      4  -0.976797D+00 -0.242607D+02 -0.231387D+02  0.537908D+00 -0.402466D+00
      5  -0.732445D+01 -0.184121D+01 -0.305557D+00 -0.162037D+01  0.199017D+01
      6   0.146863D+01 -0.596778D+00 -0.135813D+01 -0.145527D+02 -0.203922D+00
                26            27            28            29            30 
      1  -0.245531D+01 -0.527571D+01  0.434939D+02 -0.834056D+01 -0.367239D+00
      2   0.155951D+01 -0.649489D+01 -0.264987D+02  0.171054D+01  0.948938D+00
      3   0.895799D+00  0.117706D+02 -0.169953D+02  0.663002D+01 -0.581699D+00
      4   0.299672D+01 -0.215262D+01 -0.212202D+02  0.190742D+02  0.101922D+01
      5  -0.155179D+01  0.315019D+01 -0.144622D+01  0.512723D+00  0.145683D+02
      6   0.379235D+01  0.457117D-01  0.606491D+00 -0.504562D+00 -0.496755D+01
                31            32            33            34            35 
      1   0.488727D+01  0.100471D+02 -0.755252D+00 -0.145579D+01  0.629462D+00
      2  -0.682613D+01 -0.330266D+01  0.226043D+00  0.183116D+01  0.175525D+00
      3   0.193886D+01 -0.674441D+01  0.529209D+00 -0.375371D+00 -0.804987D+00
      4   0.165032D+02 -0.460532D+01 -0.133465D+01  0.156758D+01 -0.163369D+01
      5  -0.792692D+00 -0.154252D+01 -0.343156D+01  0.139349D+02 -0.594628D+01
      6  -0.905145D+00  0.935654D+00  0.823759D+01 -0.206571D+01  0.556859D+01
                36            37            38            39            40 
      1   0.525477D+01  0.108342D+02  0.162325D+02 -0.678705D+01  0.337633D+02
      2  -0.763355D+01 -0.938441D+01 -0.684236D+01  0.661572D+01 -0.177078D+02
      3   0.237878D+01 -0.144980D+01 -0.939011D+01  0.171325D+00 -0.160556D+02
      4  -0.548981D+01  0.201621D+02  0.205446D+01  0.421889D+01 -0.476843D+01
      5  -0.387437D+01 -0.117921D+02  0.397647D+01  0.909994D+01  0.407665D+01
      6   0.113725D+01  0.254485D+01 -0.936587D+00  0.964939D+00 -0.985822D+00
                41            42            43            44            45 
      1  -0.682459D+01  0.328288D+01 -0.193453D+02  0.386761D+01 -0.292107D+00
      2   0.604128D+01  0.587486D-01  0.103769D+02 -0.167663D+01 -0.580570D+01
      3   0.783303D+00 -0.334162D+01  0.896841D+01 -0.219098D+01  0.609781D+01
      4   0.152160D+02 -0.576057D+01  0.717872D+01 -0.701370D+01  0.280629D+01
      5  -0.505662D+01  0.551671D+01  0.900726D+01  0.357247D+01 -0.739566D+01
      6   0.160805D+01  0.330536D+01 -0.520856D+00  0.320823D+01  0.119706D+01
                46            47            48            49            50 
      1   0.125132D+02  0.157464D+01  0.147045D+01  0.198406D+01 -0.169564D+02
      2  -0.127964D+02 -0.689241D+01  0.178977D+01 -0.589460D+01  0.254611D+02
      3   0.283193D+00  0.531777D+01 -0.326022D+01  0.391054D+01 -0.850468D+01
      4  -0.993615D+01 -0.617801D+01  0.323468D+01 -0.432443D+00 -0.554173D+01
      5   0.205083D+01  0.134169D+01  0.994514D+00  0.114998D+01  0.832135D+00
      6   0.484228D+01  0.290612D+01 -0.882843D+01  0.341229D+01  0.516358D+01
                51            52            53            54            55 
      1  -0.915445D+00 -0.969385D-01  0.713859D+00  0.160837D+01  0.107995D+02
      2   0.370961D+01  0.335006D+01  0.434360D+01 -0.208254D+00 -0.166725D+01
      3  -0.279417D+01 -0.325312D+01 -0.505746D+01 -0.140012D+01 -0.913221D+01
      4   0.185260D+01  0.481184D+01  0.258343D+01 -0.863725D+01  0.172304D+02
      5  -0.237129D+01  0.737691D+00 -0.326696D+01 -0.417819D+01  0.953465D+00
      6   0.278131D+01 -0.964722D+01 -0.248063D+01 -0.131201D+02  0.552835D+00
                56            57            58            59            60 
      1   0.449074D+01 -0.420039D+00  0.914589D+01 -0.217832D+02 -0.317308D+00
      2   0.358434D+01  0.546609D+00  0.273720D+01  0.423726D+02 -0.346337D+00
      3  -0.807507D+01 -0.126570D+00 -0.118831D+02 -0.205894D+02  0.663645D+00
      4   0.225443D+02  0.624295D+00  0.263143D+02  0.469719D+02  0.717312D+00
      5   0.887960D+00  0.792229D+01  0.113653D+01  0.141439D+01  0.912200D+01
      6   0.711823D+00  0.425646D+01  0.100878D+01  0.855269D+00  0.178514D+02
                61            62            63            64            65 
      1  -0.214350D+00  0.467718D+00 -0.375104D+01  0.733021D+00 -0.138918D+00
      2   0.659298D+00 -0.925872D+00  0.249406D+01 -0.378515D+01  0.665332D-01
      3  -0.444948D+00  0.458154D+00  0.125697D+01  0.305213D+01  0.723847D-01
      4  -0.208114D+00 -0.930611D+00  0.110088D+02 -0.444730D+00  0.135719D+01
      5   0.893576D+01  0.111306D+02 -0.488214D+00 -0.171883D+01 -0.334717D+00
      6   0.380461D+01  0.138669D+02 -0.198518D+00 -0.531277D+00  0.534645D+00
                66            67            68            69            70 
      1  -0.136793D+00  0.142140D+00 -0.387383D+01 -0.382581D-01  0.934188D+00
      2   0.147768D+01  0.681778D+00  0.359674D+00 -0.874129D+00  0.258745D+01
      3  -0.134089D+01 -0.823918D+00  0.351415D+01  0.912387D+00 -0.352163D+01
      4  -0.452661D+00  0.272705D+01 -0.153017D+00 -0.481810D+00  0.950636D+00
      5   0.662701D+01  0.157684D+00 -0.805208D+00 -0.510841D+00  0.495973D+01
      6   0.381443D+00 -0.564749D-01  0.188388D+00  0.664929D+01  0.202544D+00
                71            72            73            74            75 
      1   0.157614D+01 -0.174145D+02 -0.900980D+00  0.283611D+00  0.520194D+01
      2  -0.566380D+00 -0.159601D+02 -0.264761D+01 -0.139399D+00 -0.100347D+01
      3  -0.100976D+01  0.333746D+02  0.354859D+01 -0.144212D+00 -0.419847D+01
      4  -0.563368D+00 -0.266123D+00  0.662125D+00  0.773801D+00 -0.144785D+01
      5   0.366424D+00 -0.754010D+01  0.169846D+01 -0.274698D+00  0.422610D+01
      6   0.423459D+01 -0.303571D+01 -0.134509D+01 -0.102029D+01  0.814535D+00
                76            77            78            79            80 
      1   0.138658D+01 -0.535343D+01  0.151603D+01  0.726932D+01  0.290358D+01
      2  -0.749737D+00  0.277646D+01 -0.125214D+01 -0.216208D+01 -0.409254D+00
      3  -0.636847D+00  0.257697D+01 -0.263893D+00 -0.510724D+01 -0.249432D+01
      4   0.246728D+00 -0.128949D+01  0.249719D+01 -0.283057D+01  0.247756D+01
      5  -0.912391D-01  0.224645D+01  0.472959D+00  0.400100D+01 -0.304542D+01
      6  -0.828336D-02 -0.148720D+01  0.593559D+01  0.309842D+00  0.668568D+01
                81            82            83            84            85 
      1  -0.227942D+02 -0.112851D+01 -0.408100D+01 -0.172340D+01 -0.500955D+01
      2  -0.108621D+02  0.341867D+01  0.341716D+01  0.123590D+01  0.344977D+01
      3   0.336563D+02 -0.229017D+01  0.663841D+00  0.487507D+00  0.155978D+01
      4  -0.141571D+01 -0.991756D+00  0.346513D+01  0.113246D+01  0.492355D+01
      5   0.184903D+02 -0.109485D+01  0.373255D+00  0.983002D+00 -0.125653D+00
      6  -0.130460D+02  0.144349D+01  0.191797D+00  0.339435D+00  0.369327D+00
                86            87            88            89            90 
      1  -0.190377D+02 -0.251548D+01 -0.311800D+01 -0.377773D+01 -0.590728D+01
      2   0.319789D+02  0.497930D+01  0.238278D+01  0.570036D+01  0.337110D+01
      3  -0.129413D+02 -0.246382D+01  0.735220D+00 -0.192262D+01  0.253618D+01
      4  -0.173516D+02 -0.216741D+01  0.149303D+01 -0.430770D+01 -0.278547D+01
      5  -0.256802D+01 -0.239470D+01  0.541767D+00 -0.343395D+01 -0.592336D+00
      6   0.382869D+01  0.537460D+01  0.176588D+00  0.678038D+01  0.254683D+01
                91            92            93            94            95 
      1  -0.112221D+02 -0.308537D+01  0.378821D-01 -0.134480D+02 -0.686134D+01
      2   0.980935D+01  0.733925D+00  0.211026D+00  0.716855D+01  0.113224D+02
      3   0.141276D+01  0.235145D+01 -0.248908D+00  0.627949D+01 -0.446102D+01
      4  -0.750687D+00 -0.584605D+00 -0.288932D+00  0.850500D+01 -0.175062D+02
      5   0.743829D+00  0.471473D+00 -0.181872D+01  0.115068D+01  0.304783D+00
      6  -0.129285D+00  0.217793D-01 -0.165996D+01  0.601977D-01  0.355385D+00
                96            97            98            99           100 
      1   0.259636D+00  0.838076D+00  0.174338D+00 -0.115807D+01 -0.952108D+00
      2  -0.204981D+00 -0.569154D+00 -0.299910D+00  0.358099D+00  0.953802D+00
      3  -0.546541D-01 -0.268923D+00  0.125572D+00  0.799973D+00 -0.169384D-02
      4  -0.340982D+00 -0.403018D+00  0.215958D+00 -0.269820D+01  0.227359D+01
      5  -0.413460D+01  0.242951D+01 -0.239683D+01  0.919648D-01  0.224510D+01
      6   0.194936D+01 -0.184006D+01  0.294809D+01 -0.156215D+00  0.274823D+01
               101           102           103           104           105 
      1  -0.895192D+00 -0.583697D+00 -0.210045D+00 -0.322446D+01 -0.181229D+01
      2   0.162290D+01  0.199359D+00  0.575000D+00  0.379498D+01  0.258451D+01
      3  -0.727706D+00  0.384338D+00 -0.364956D+00 -0.570522D+00 -0.772224D+00
      4   0.425562D+01  0.305248D+01  0.369005D+01  0.251170D+01  0.220989D+01
      5   0.182375D+01  0.417565D+01  0.669826D+00  0.150129D+01  0.144973D+01
      6   0.269043D+01  0.504068D+01  0.215338D+01  0.359786D+01  0.601470D+01
               106           107           108           109           110 
      1  -0.161060D+00 -0.595258D+01 -0.966633D+01  0.825106D+00 -0.350609D+01
      2  -0.123538D+01  0.449795D+01 -0.303264D+01  0.624358D+01  0.108158D+02
      3   0.139644D+01  0.145463D+01  0.126990D+02 -0.706868D+01 -0.730975D+01
      4   0.469536D+01  0.448845D+01  0.584622D+01  0.140659D+02  0.150640D+02
      5   0.419269D+01  0.290022D+01  0.788915D+01 -0.381704D+01 -0.302345D+01
      6   0.604152D+01  0.985175D+01  0.224521D+02 -0.646065D+01 -0.564686D+01
               111           112           113           114           115 
      1  -0.700534D-01 -0.219091D+01 -0.593829D+01  0.148076D+01  0.112887D+01
      2  -0.258240D+01  0.776528D+01  0.138367D+02 -0.404664D+01 -0.311677D+01
      3   0.265246D+01 -0.557437D+01 -0.789842D+01  0.256588D+01  0.198790D+01
      4  -0.553912D+01  0.127945D+02  0.117657D+02 -0.412318D+01 -0.766344D+01
      5   0.400208D+01 -0.142255D+01 -0.263068D+01  0.172929D+01  0.415523D+01
      6   0.608055D+01 -0.458053D+01 -0.625290D+01  0.540855D+01  0.671836D+01
               116           117           118           119           120 
      1   0.348797D+01 -0.263690D+01  0.483115D+02 -0.149927D+02  0.620492D+01
      2  -0.582541D+01  0.246727D+01 -0.230196D+02  0.615879D+01 -0.289478D+01
      3   0.233744D+01  0.169626D+00 -0.252918D+02  0.883387D+01 -0.331015D+01
      4  -0.655463D+01  0.616604D+01 -0.226947D+02  0.139502D+02 -0.334082D+01
      5   0.343429D+01 -0.343161D+01  0.813854D+01 -0.310739D+01  0.765975D+01
      6   0.823034D+01 -0.658973D+01 -0.105735D+01  0.493342D+00 -0.108752D+01
               121           122           123           124           125 
      1  -0.233834D+02  0.121150D+02 -0.299413D+01  0.118637D+02 -0.390948D+01
      2   0.910853D+01 -0.306828D+01  0.107660D+01 -0.640261D+01  0.168268D+01
      3   0.142749D+02 -0.904668D+01  0.191753D+01 -0.546107D+01  0.222680D+01
      4   0.204936D+02 -0.137233D+02  0.383109D+01 -0.682265D+01  0.438466D+01
      5  -0.483149D+01  0.373225D+01 -0.388108D+01  0.939527D+01 -0.376503D+01
      6   0.116164D+01 -0.107401D+01  0.196931D+01 -0.208404D+01  0.204563D+01
               126 
      1   0.561709D+01
      2  -0.366573D+01
      3  -0.195136D+01
      4  -0.403879D+01
      5   0.335880D+01
      6  -0.985600D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.159952D+01      0.406557D+01      0.135613D+02
   y          0.794022D+00      0.201820D+01      0.673200D+01
   z          0.248180D+00      0.630811D+00      0.210416D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.609591D+02      0.903320D+01      0.100508D+02
   yx        -0.350373D+00     -0.519199D-01     -0.577687D-01
   yy         0.594451D+02      0.880885D+01      0.980117D+01
   zx        -0.567215D+00     -0.840526D-01     -0.935212D-01
   zy        -0.340346D+00     -0.504341D-01     -0.561155D-01
   zz         0.434226D+02      0.643457D+01      0.715942D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.601263D+02      0.890979D+01      0.991348D+01
   aniso      0.180468D+02      0.267427D+01      0.297552D+01
   xx         0.671344D+02      0.994829D+01      0.110690D+02
   yx        -0.288790D+00     -0.427942D-01     -0.476150D-01
   yy         0.650574D+02      0.964052D+01      0.107265D+02
   zx        -0.670972D+00     -0.994277D-01     -0.110628D+00
   zy        -0.202175D+00     -0.299593D-01     -0.333342D-01
   zz         0.481870D+02      0.714057D+01      0.794496D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.71217691         -2.12392657          1.59489089
     6          0.54329117          0.48283566          0.40181008
     6         -0.38051695          0.30545715         -2.34581313
     8         -1.82153766          2.25705460         -3.05138698
     8          1.77925707         -1.79957707          4.04463021
     7         -0.99923302          2.30938596          1.80071326
     8          0.17860437         -1.39298134         -3.74362181
     1          2.45941180          1.25282505          0.29631811
     1         -1.18663715         -2.95402986          1.71554146
     1          1.87086727         -3.34339537          0.40147124
     1         -2.01132222          3.30594049         -1.52687232
     1         -2.53240983          1.44828648          2.56753169
     1         -0.00622390          3.05805386          3.25251610
     1          2.06064444         -3.43555585          4.78619915

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180292D+01      0.458257D+01      0.152858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.471546D+02      0.698759D+01      0.777474D+01
   yx        -0.644831D+01     -0.955541D+00     -0.106318D+01
   yy         0.567927D+02      0.841580D+01      0.936384D+01
   zx         0.300131D+01      0.444748D+00      0.494849D+00
   zy         0.580769D+00      0.860611D-01      0.957559D-01
   zz         0.598795D+02      0.887323D+01      0.987280D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.601263D+02      0.890979D+01      0.991348D+01
   aniso      0.180468D+02      0.267427D+01      0.297552D+01
   xx         0.522808D+02      0.774722D+01      0.861995D+01
   yx        -0.691454D+01     -0.102463D+01     -0.114005D+01
   yy         0.621395D+02      0.920812D+01      0.102454D+02
   zx         0.326511D+01      0.483839D+00      0.538344D+00
   zy         0.531079D+00      0.786978D-01      0.875631D-01
   zz         0.659584D+02      0.977403D+01      0.108751D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.250904,-0.69005,0.276818\C,0.189479,0.206848,-0.33832\C
 ,-1.218867,-0.343463,-0.063422\O,-2.139786,0.610664,0.106878\O,2.51605
 2,-0.170687,-0.121294\N,0.262737,1.61499,0.062074\O,-1.475252,-1.51638
 7,-0.031909\H,0.312462,0.172012,-1.425027\H,1.148785,-0.681214,1.37051
 4\H,1.101193,-1.714061,-0.06989\H,-1.645638,1.460867,0.062581\H,0.5292
 34,1.69436,1.038405\H,0.970182,2.101499,-0.472846\H,3.207414,-0.767126
 ,0.181892\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1528798\RMSD=9.4
 74e-09\RMSF=8.278e-06\ZeroPoint=0.1131931\Thermal=0.1208953\Dipole=1.5
 995176,0.7940225,0.2481801\DipoleDeriv=0.789872,0.1283577,-0.1468827,0
 .0819323,0.1551594,-0.0049377,-0.1345816,0.0291655,0.3854237,-0.033425
 4,0.0207538,0.1137865,-0.0216928,0.4579407,0.0520957,0.09596,0.1346819
 ,0.1699377,1.2288996,-0.2303965,-0.1522506,-0.0389446,1.7152793,0.0401
 816,-0.2049818,0.0381923,0.2643011,-0.9214522,0.4823685,0.0558507,0.15
 34042,-1.0180835,-0.0633894,0.0962662,-0.0899395,-0.332002,-0.9853491,
 -0.1063081,0.1223961,-0.1509166,-0.3527228,-0.0518689,0.1303647,-0.071
 5309,-0.476057,-0.5524776,0.0421536,-0.0359274,0.0647078,-0.7027202,-0
 .0135804,-0.021546,-0.0518509,-0.2109439,-0.6600234,-0.2408616,0.01366
 01,-0.1055495,-1.1679277,-0.0067879,0.0364905,0.0266029,-0.3686215,0.0
 481592,-0.008844,0.0059856,-0.01386,-0.0007739,0.0116773,-0.0173749,-0
 .0132027,-0.0579929,-0.0440608,0.0029075,0.0338434,-0.0122064,0.033882
 9,-0.031904,0.0523441,0.0162844,-0.1857402,0.0033403,0.0054918,0.00626
 72,-0.0324508,-0.0998284,-0.0242363,0.0136407,-0.0576082,0.0308473,0.5
 467129,0.0821498,0.0110337,0.0897558,0.3793417,0.0075708,-0.0010563,0.
 0025607,0.2612812,0.206787,-0.0736586,-0.0720275,-0.0377361,0.1770793,
 0.0637251,-0.042658,0.005734,0.0665215,0.1090826,-0.126173,0.0593472,-
 0.0285518,0.2181958,-0.0503031,0.0256038,-0.0457116,0.1591712,0.263934
 9,0.0220592,-0.0150823,0.0521085,0.2051775,0.0717571,-0.0284715,0.0766
 221,0.293874\Polar=60.9590843,-0.3503727,59.4450684,-0.5672153,-0.3403
 459,43.4226324\Quadrupole=-2.6048341,0.2615275,2.3433066,-4.7376982,1.
 9848164,-0.0558083\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.45351018,0.00502281
 ,0.57066891,0.00881352,0.03493265,0.56613592,-0.11371951,0.02803529,-0
 .03130645,0.47377476,0.05041531,-0.11237438,0.03358003,-0.01041469,0.4
 8389704,-0.04146606,0.02692047,-0.10488939,-0.01041772,0.00232010,0.57
 124731,-0.03374448,0.00282643,0.00362853,-0.14399617,-0.02739865,0.008
 13794,0.53945270,0.01137578,0.01953284,-0.00929839,-0.00225360,-0.0752
 0437,0.00390086,0.09170090,1.01297358,-0.01161356,-0.00922305,0.004244
 96,0.00971792,0.00987680,-0.09366632,-0.05209785,-0.00601669,0.2364650
 1,0.00047273,-0.00647548,0.00545137,-0.03554641,0.02825958,0.00756325,
 -0.23509628,0.04945375,0.02993552,0.41160598,-0.00254299,0.00072186,-0
 .00039285,0.00449162,-0.00657913,-0.00395831,0.10335970,-0.16308175,-0
 .01897479,0.04989699,0.57280506,0.00083559,0.00366602,-0.00167919,0.01
 236683,-0.00899761,0.01996114,0.03088487,-0.01008128,-0.06146507,-0.05
 558231,0.01029772,0.04496840,-0.18457910,-0.06450176,0.04437814,-0.047
 14684,-0.01211870,0.00833864,0.00301567,0.00447126,-0.00351377,-0.0048
 4511,0.00204246,0.00163149,0.54246685,-0.02467465,-0.10695027,0.025935
 85,0.02170454,0.00779665,-0.00531010,0.00159728,-0.00786430,0.00258901
 ,0.00171038,0.00156053,-0.00065547,-0.14570037,0.32524510,0.02470518,0
 .03122017,-0.08265561,-0.01231643,-0.00558245,0.00696008,-0.00143200,0
 .00298962,-0.00099005,-0.00114886,0.00010594,0.00041853,0.04871640,-0.
 15588334,0.13334834,0.00020643,0.02291777,0.00706703,-0.06861461,-0.03
 521076,-0.00350752,-0.00977489,-0.01907045,-0.00691555,-0.01058552,-0.
 02031960,-0.00071732,0.00194192,0.00217469,0.00050808,0.36589799,-0.00
 093190,-0.03926952,-0.00972145,0.01064144,-0.18398610,-0.02150482,-0.0
 0704779,-0.02540205,-0.00546286,-0.00539618,-0.00197898,0.00029855,-0.
 00027878,0.00254903,-0.00022527,0.19112255,0.43811426,0.00364259,0.009
 50100,0.00470449,0.01169167,-0.03330090,-0.10583774,0.00023993,0.00648
 949,0.00270581,0.00223567,0.00323831,0.00500046,-0.00054602,-0.0000840
 5,0.00047187,-0.05555815,-0.02752575,0.65597749,0.00115502,0.00049805,
 0.00090114,0.00081839,-0.03249352,0.00302175,-0.15053005,-0.15616068,0
 .01031793,0.03176878,0.04318830,-0.00191445,-0.00189585,-0.00114366,-0
 .00010630,-0.00341878,-0.00540392,0.00271237,0.13436233,0.00263395,-0.
 00639217,0.00174096,-0.01470758,-0.02509053,0.00316087,-0.16620746,-0.
 69570184,0.02098752,0.02470918,-0.10130569,-0.00595199,-0.00000068,0.0
 0340083,-0.00057176,-0.00886996,-0.00315016,0.00214441,0.15451625,0.82
 364001,0.00119428,0.00111164,-0.00084088,0.00374879,0.00663684,0.01970
 832,0.00960199,0.01885703,-0.07750490,-0.00203031,-0.00864180,0.014727
 71,0.00025261,-0.00066807,0.00065900,0.00193341,0.00101546,0.00065230,
 -0.01465978,-0.01785082,0.03427172,0.00125339,0.00204197,-0.02598820,-
 0.05034163,0.00086890,0.03861449,-0.00317062,-0.00060020,0.03407373,-0
 .00342082,0.00068661,-0.00416952,0.00235160,-0.00078975,0.00088667,0.0
 0091455,-0.00171764,-0.00432835,-0.00135386,-0.00055445,-0.00424824,0.
 05439420,-0.00054292,-0.00148295,0.02248402,-0.00186306,-0.04550919,0.
 00180375,0.00031928,-0.00021327,0.01116583,-0.00049159,0.00079545,-0.0
 0064948,-0.00122505,0.00064768,-0.00179122,0.00267721,-0.00935552,-0.0
 3781212,-0.00127849,-0.00061068,-0.00167562,-0.00040945,0.06130554,0.0
 0036905,0.00296257,-0.01767766,0.02893090,-0.00794933,-0.29686703,0.00
 348995,0.00124637,-0.00716241,0.00042155,0.00060812,0.00049943,0.00088
 124,-0.00097996,0.00177524,0.00050709,-0.00364939,-0.00974039,0.000255
 74,-0.00039007,0.00133310,-0.03299050,0.00802295,0.32460614,-0.0479977
 1,0.00397621,0.00940769,0.00014147,-0.00036960,-0.02558875,0.00226217,
 0.00116174,-0.00106685,-0.00031526,0.00006139,0.00021547,-0.01838413,-
 0.00738681,0.03696787,0.00073631,-0.00189269,0.00074861,-0.00016095,-0
 .00077240,0.00051603,-0.00324369,0.00340963,-0.00193103,0.06257200,0.0
 0096401,-0.05530984,-0.01157716,0.00188585,-0.00076046,0.02040858,-0.0
 0094608,-0.00001452,-0.00009152,0.00000091,-0.00021409,-0.00022759,-0.
 00653561,0.00194309,0.01544007,-0.00082258,0.00246056,0.00084798,-0.00
 011659,0.00025551,0.00050297,0.00248902,-0.00153816,0.00189573,0.00133
 499,0.05247790,0.00992925,-0.01021493,-0.28655831,-0.00196400,-0.00199
 304,-0.01545769,0.00138012,0.00172405,-0.00076877,-0.00081834,0.000171
 03,0.00026364,0.01331492,0.00465671,-0.00424629,0.00033631,-0.00035455
 ,0.00229732,-0.00060738,-0.00090681,0.00079916,-0.00184227,0.00136025,
 0.00026583,-0.01961212,0.00421664,0.31461719,-0.05125574,-0.02006680,-
 0.01071190,0.00528218,0.01906798,0.00970362,0.00038400,0.00297003,0.00
 035235,0.00025871,-0.00143161,-0.00003714,-0.01841921,-0.03600238,-0.0
 0429388,-0.00406709,0.00541382,-0.00207793,-0.00168548,-0.00188811,-0.
 00010076,0.00105824,-0.00055063,-0.00009119,0.00296523,0.00122315,-0.0
 0057609,0.06325074,-0.02115582,-0.27530244,-0.08086608,-0.00063750,-0.
 01769745,-0.00831969,-0.00030844,-0.00375571,0.00020421,0.00004434,0.0
 0142515,-0.00005140,-0.01009121,-0.00662752,0.00063085,0.00286274,-0.0
 0241475,0.00188997,-0.00220395,0.00237874,0.00008782,-0.00056159,0.000
 77204,0.00020441,0.00079668,0.00088179,-0.00062846,0.03240259,0.299941
 16,-0.00864727,-0.08524630,-0.08492343,0.00076265,0.01324220,0.0040098
 3,-0.00004897,-0.00122071,0.00025468,-0.00000881,0.00030988,0.00013673
 ,0.00413804,0.01409924,0.00661456,-0.00225638,0.00245335,0.00022213,-0
 .00062389,0.00052913,-0.00049270,0.00084440,0.00008724,0.00084873,-0.0
 0152025,-0.03029404,-0.01112512,0.00848328,0.08579515,0.08392419,0.000
 42864,-0.00132226,-0.00019514,-0.00754722,0.01181964,0.00326125,0.0313
 0930,0.01613577,-0.00551207,-0.15009379,-0.17690229,0.01451678,-0.0002
 5128,-0.00062455,-0.00015386,0.00563389,0.00334545,-0.00336769,-0.0084
 2755,0.01319179,0.00279670,-0.00024306,-0.00061920,-0.00037403,0.00001
 241,0.00015640,-0.00001193,0.00074794,-0.00075469,0.00003537,0.1260076
 5,0.00058540,-0.00257741,0.00007734,0.00171403,0.00401604,0.00136923,-
 0.00283161,-0.05597161,-0.00112949,-0.14332049,-0.30802977,0.01172871,
 -0.00140625,0.00003897,-0.00020568,0.00419614,-0.00360528,-0.00049912,
 0.00306179,0.00412668,-0.00059229,-0.00038890,-0.00042263,-0.00015141,
 -0.00013166,0.00015631,-0.00012852,0.00036576,-0.00049787,0.00012297,0
 .13896217,0.36392488,-0.00024627,-0.00066220,0.00018181,0.00153085,-0.
 00066583,-0.00068968,-0.00418372,-0.00549226,-0.00247142,0.01537519,0.
 01811717,-0.02267645,-0.00009359,0.00016509,-0.00016333,-0.00007679,0.
 00050096,-0.00819839,0.00201220,-0.00143546,0.00669613,0.00094778,-0.0
 0013467,-0.00039283,-0.00012031,0.00006314,-0.00018402,0.00001657,0.00
 002999,0.00002172,-0.01204436,-0.01045818,0.02783184,0.00120602,0.0001
 3108,0.00150418,-0.00274433,0.00541195,0.00133783,0.00142678,-0.002459
 02,-0.00220317,-0.00181896,0.00006956,0.00260263,-0.00049089,-0.000511
 43,-0.00034059,-0.05757449,-0.02820306,-0.12126926,-0.00063029,0.00042
 110,0.00050958,0.00059038,0.00086027,0.00059832,0.00031166,-0.00020101
 ,0.00001249,0.00013374,-0.00031612,-0.00008921,-0.00012332,0.00011682,
 -0.00475539,0.05462918,0.00028076,0.00237028,-0.00270622,-0.00926665,-
 0.00579639,-0.04002665,0.00066488,-0.00016864,-0.00125945,0.00014579,0
 .00037080,-0.00048337,-0.00015898,-0.00026538,0.00056432,-0.01990743,-
 0.05259513,-0.00464162,-0.00024033,-0.00062037,0.00067582,-0.00124374,
 -0.00644528,-0.00167309,0.00017284,-0.00032162,0.00155668,-0.00055617,
 0.00041479,0.00060509,-0.00018365,0.00001887,0.00125647,0.02237486,0.0
 6111326,-0.00053681,0.00129207,0.00323024,-0.00398665,-0.00113711,-0.0
 1040509,0.00031622,-0.00063014,-0.00042152,0.00009553,0.00065211,-0.00
 011348,0.00055056,0.00052899,-0.00018090,-0.07733485,-0.02355944,-0.38
 668222,0.00004699,0.00021981,0.00000133,-0.00101240,-0.00193438,0.0013
 2886,0.00095710,-0.00081777,-0.00007085,-0.00065378,0.00059496,-0.0000
 2219,-0.00099776,-0.00055270,0.00006256,0.09254290,0.02647270,0.414653
 66,0.00167187,0.00192843,-0.00011475,-0.00361169,0.00611859,-0.0017318
 2,-0.00127729,0.00072811,-0.00050730,-0.00183452,-0.00254365,-0.000871
 81,-0.00061617,-0.00026065,0.00007700,-0.22251751,-0.15845670,0.165780
 80,-0.00036177,-0.00178560,0.00023791,0.00078785,0.00003671,-0.0003135
 4,-0.00009308,-0.00011858,0.00017378,-0.00058028,0.00029156,0.00020050
 ,0.00282512,-0.00064453,0.00168178,0.00525114,0.00762880,-0.01007462,0
 .22036461,-0.00229414,-0.00175679,0.00031647,-0.02674907,-0.02067420,0
 .01874508,0.00469834,-0.00574742,-0.00232088,0.00168667,0.00341085,0.0
 0094747,0.00024157,0.00079635,-0.00024501,-0.12269273,-0.12162321,0.07
 951177,-0.00222776,-0.00082648,0.00054905,0.00021018,0.00214489,-0.000
 07249,0.00005644,0.00002458,-0.00020243,0.00025313,-0.00011520,-0.0001
 6677,-0.00308281,-0.00111698,-0.00127780,0.00232453,0.00186069,-0.0012
 7805,0.14726538,0.14304476,0.00039818,0.00031473,-0.00071242,-0.009706
 79,-0.00634006,0.00648131,0.00013691,-0.00279386,-0.00006465,-0.001499
 68,-0.00134874,0.00020635,0.00023438,-0.00069336,-0.00023616,0.1359428
 0,0.08787585,-0.16170203,-0.00145535,-0.00148578,0.00019798,-0.0008307
 6,-0.00096928,0.00081995,-0.00006070,0.00003349,0.00015799,0.00006086,
 -0.00016343,0.00021662,0.00197839,0.00039881,-0.00008362,0.02958772,0.
 01967047,-0.02148960,-0.15469324,-0.09433408,0.17631675,-0.02860774,0.
 02498824,-0.01283518,-0.00674839,-0.00395603,0.00273309,-0.00026085,0.
 00254659,-0.00096733,-0.00054954,-0.00005651,0.00023887,-0.27314747,0.
 18990736,-0.09206925,0.00122181,-0.00119460,0.00009575,0.00036006,-0.0
 0068602,0.00024777,0.00042344,-0.00032272,0.00024647,0.00119356,0.0006
 8614,0.00028526,0.00192701,-0.00036859,-0.00126946,-0.00027872,-0.0002
 7868,-0.00004396,-0.00016661,0.00028903,0.00008758,-0.00000829,0.00031
 026,-0.00009271,0.30464173,-0.01913561,0.00812187,-0.00450516,-0.00258
 063,-0.00203754,0.00049063,-0.00042678,0.00061906,-0.00034464,-0.00022
 386,0.00009970,0.00015971,0.23526210,-0.22227076,0.11355377,0.00094242
 ,0.00025686,0.00024062,0.00000451,-0.00010386,-0.00000803,-0.00003096,
 -0.00008793,-0.00007441,-0.00041677,-0.00004105,0.00074338,-0.00120078
 ,0.00059728,-0.00031641,-0.00012177,-0.00006021,-0.00000642,-0.0000195
 2,0.00006413,0.00014894,-0.00018788,0.00057816,-0.00016476,-0.21186448
 ,0.21426427,0.01262233,-0.00657486,0.00143946,0.00094842,0.00031036,-0
 .00055505,-0.00005392,0.00032591,0.00084464,0.00001023,-0.00018377,-0.
 00024819,-0.11828303,0.11629945,-0.06177528,0.00007184,-0.00014064,0.0
 0012890,0.00009903,-0.00019000,-0.00020827,0.00004316,0.00004274,0.000
 36303,0.00108723,-0.00040051,0.00000991,-0.00007402,0.00059171,0.00031
 425,0.00006836,0.00002032,0.00006568,-0.00003803,-0.00001116,0.0001091
 8,0.00015530,-0.00017232,-0.00010847,0.10334309,-0.10991723,0.05962021
 \\-0.00002065,-0.00000218,-0.00000641,0.00001727,-0.00001021,0.0000024
 2,-0.00002447,-0.00000875,0.00000015,-0.00000492,-0.00001486,0.0000007
 5,0.00001993,0.00000679,0.00000461,0.00000218,0.00000546,0.00000901,0.
 00000513,0.00001184,-0.00000140,0.00000022,-0.00000038,-0.00000010,0.0
 0000036,0.00000168,-0.00000098,-0.00000087,-0.00000019,0.00000171,0.00
 001069,0.00001238,-0.00000103,-0.00000200,-0.00000098,-0.00000248,-0.0
 0000350,0.00000012,-0.00000122,0.00000063,-0.00000072,-0.00000502\\\@


 THE FIRST MORNING OF CREATION WROTE WHAT THE LAST DAWN OF
 RECKONING SHALL READ. -- OMAR KHAYYAM
 Job cpu time:       0 days  0 hours 32 minutes  7.4 seconds.
 Elapsed time:       0 days  0 hours  4 minutes  2.4 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:29:32 2021.
